SCHEMBL9153328

SCHEMBL9153328

COc1cc(-n2nc3ccccc3n2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.56
▸ MEN1 O00255 7/20 0.52
▸ KMT2A Q03164 7/20 0.52
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ ALDH1A1 P00352 8/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.44
▸ HPGD P15428 3/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ STAT1 P42224 1/20 0.42

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
SCHEMBL11459756 0.81 HTT (0.56) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL22323697 0.78 ALDH1A1 (0.50) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL11687525 0.77 MEN1 (0.59) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL11460370 0.77 HTT (0.54) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL8338124 0.74 HTT (0.48) HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL5315800 0.73 HTT (0.47) HTTMEN1KMT2A
SCHEMBL2006792 0.73 ALDH1A1 (0.52) HTTALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL3217808 0.72 HTT (1.00) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL2821837 0.71 MAPT (0.48) HTTMEN1KMT2ANPC1ALDH1A1
SCHEMBL16521616 0.71 IDO1 (0.47) HTTMEN1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5468848-A Disazo dyes for yellow dyes for paper and cellulose BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 — — US disclosed
EP-0632104-A1 Basic azodyes BAYER AG (DE) 1995-01-04 — — EP disclosed
EP-0312838-B1 BASIC AZODYES, THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1993-09-29 — — EP disclosed
US-4920208-A YELLOW MONO-AND DISAZO DYES CONTAINING (4-OXY, 6-OXY-OR -THIOCARBONYL-PYRIMIDIN-2-YL)-AMINO GROUPS; COLORFASTNESS; FIBERS; AFFINITY FOR PAPER SURFACE BAYER AKTIENGESELLSCHAFT (DE) 1990-04-24 — — US disclosed
EP-0103739-B1 CATIONIC DYESTUFFS, THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1989-07-19 — — EP disclosed
EP-0312838-A2 Basic azodyes, their preparation and their use BAYER AG (DE) 1989-04-26 — — EP disclosed
US-4509948-A Cationic mono- and dis-azo dyestuffs, and their preparation and use for dyeing paper and cationic dyeable substrates BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 — — US disclosed
EP-0057245-B1 CATIONIC TRIAZINE DYESTUFFS, THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1984-05-30 — — EP disclosed
EP-0103739-A2 Cationic dyestuffs, their preparation and their use BAYER AG (DE) 1984-03-28 — — EP disclosed
EP-0057245-A2 Cationic triazine dyestuffs, their preparation and their use BAYER AG (DE) 1982-08-11 — — EP disclosed
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