SCHEMBL9768416

SCHEMBL9768416

Nc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
NPC1 O15118 6/20 0.70
ALDH1A1 P00352 4/20 0.70
PAX8 Q06710 3/20 0.70
HTT P42858 3/20 0.70
S1PR4 O95977 2/20 0.70
MAPT P10636 2/20 0.70
S1PR1 P21453 2/20 0.70
MITF O75030 1/20 0.70
THRB P10828 1/20 0.70
XBP1 P17861 1/20 0.70
CA12 O43570 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA9 Q16790 2/20 0.68
KMT2A Q03164 3/20 0.65
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56

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
SCHEMBL4672474 0.86 RAB9A (0.74) RAB9ASMN1; SMN2NPC1ALDH1A1PAX8
SCHEMBL10788065 0.83 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1PAX8
SCHEMBL4670658 0.83 RAB9A (0.70) RAB9ASMN1; SMN2NPC1ALDH1A1PAX8
SCHEMBL4648855 0.83 RAB9A (0.70) RAB9ASMN1; SMN2NPC1ALDH1A1PAX8
SCHEMBL24303253 0.83 NPC1 (0.70) RAB9ASMN1; SMN2NPC1ALDH1A1PAX8
SCHEMBL1461789 0.82 RAB9A (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1PAX8
SCHEMBL24091280 0.81 CA1 (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1PAX8
SCHEMBL31735886 0.81 RAB9A (0.72) RAB9ASMN1; SMN2NPC1ALDH1A1PAX8
SCHEMBL11135676 0.80 CA12 (0.78) RAB9ASMN1; SMN2NPC1ALDH1A1PAX8
SCHEMBL8163897 0.80 RAB9A (0.66) RAB9ASMN1; SMN2NPC1ALDH1A1PAX8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003049-A Fiber-Reactive Dyes for Hydroxy Textiles BASF AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed
US-4677199-A Reactive dyes containing substituted 4-fluoropyridaz-6-one radicals BASF AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed
EP-0119441-B1 REACTIVE DYES WITH SUBSTITUTED 4-FLUOROPYRIDAZ-6-ONE GROUPS BASF Aktiengesellschaft (DE) 1987-02-25 EP disclosed
EP-0126265-B1 REACTIVE DYES BASF Aktiengesellschaft (DE) 1986-10-29 EP disclosed
EP-0126265-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1984-11-28 EP disclosed
EP-0119441-A2 Reactive dyes with substituted 4-fluoropyridaz-6-one groups BASF Aktiengesellschaft (DE) 1984-09-26 EP disclosed