SCHEMBL8092217

SCHEMBL8092217

Cc1ccccc1Nc1n[c]nc(F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.45
LRRK2 Q5S007 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NTSR1 P30989 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC2A1 P11166 2/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9483332 0.81 NPSR1 (0.54) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL10910707 0.81 TSHR (0.53) NPC1RAB9ASMN1; SMN2KMT2ANPSR1
SCHEMBL4651692 0.76 AURKA (0.45) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL9818543 0.75 HTT (0.67) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL8087173 0.75 NPC1 (0.34) NPC1RAB9A
SCHEMBL6562088 0.75 APP (0.44) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL13750837 0.74 HTT (0.59) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4650664 0.72 JAK2 (0.33)
SCHEMBL6546573 0.70 CHEK1 (0.36) ALDH1A1
SCHEMBL27514960 0.68 PTGS1 (0.39) KMT2AAURKAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142104-B1 FIBRE-REACTIVE CHROMIUM COMPLEXES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1990-01-03 EP claimed
EP-0144776-B1 FIBRE-REACTIVE CHROMIUM COMPLEXES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1989-10-11 EP claimed
EP-0144776-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP claimed
EP-0142104-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-22 EP claimed
CN-1513037-A Black dye mixtures of fibre-reactive azo dyes and use thereof for dyeing material containing hydroxy-and/or carboxamido groups ����־��˹���֯Ʒ��Ⱦ�����Ϲ�˾ 2004-07-14 CN disclosed
US-6136970-A COLORFAST FIBER-REACTIVE DYES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-24 US disclosed
US-5931975-A TRIAZINE REACTIVE DYES CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-03 US disclosed
US-5892006-A CONTAINING S-TRIAZINE RINGS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-04-06 US disclosed
US-5735911-A TRIAZINE DYES HAVING GOOD WET AND LIGHT FASTNESS PROPERTIES CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-04-07 US disclosed
EP-0472975-B1 Asymmetric dioxazine compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL CO (JP) 1997-12-17 EP disclosed
US-5684138-A Asymmetrical reactive dyes containing two triazinyl radicals which are bridged via an aliphatic bridge member CIBA SPECIALTY CHEMICALS CORPORATION (US) 1997-11-04 US disclosed
US-5612463-A AMINOTRIAZINE DYES CIBA-GEIGY CORPORATION (US) 1997-03-18 US disclosed
US-4638054-A Aminonaphthol bisazo reactive dyes BAYER AKTIENGESELLSCHAFT (DE) 1987-01-20 US disclosed
US-4622396-A FIBER REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 US disclosed
US-4621138-A Triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
US-4591643-A Triphendioxazine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-27 US disclosed
US-4556707-A DYEING CELLULOSE FIBERS AND POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
EP-0144776-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed
EP-0142104-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-22 EP disclosed
US-4460505-A Dyestuffs, processes for their preparation and their use for dyeing materials containing hydroxyl groups or nitrogen BAYER AKTIENGESELLSCHAFT (DE) 1984-07-17 US disclosed