SCHEMBL3343306

SCHEMBL3343306

Nc1cc2[nH]c3ccccc3c2cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.55
ALDH1A1 P00352 3/20 0.52
GPR3 P46089 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ACHE P22303 1/20 0.52
GABRP O00591 4/20 0.50
GABRD O14764 4/20 0.50
GABRA1 P14867 4/20 0.50
GABRB1 P18505 4/20 0.50
GABRG2 P18507 4/20 0.50
GABRB3 P28472 4/20 0.50
GABRA5 P31644 4/20 0.50
GABRA3 P34903 4/20 0.50
GABRA2 P47869 4/20 0.50
GABRB2 P47870 4/20 0.50
GABRA4 P48169 4/20 0.50
GABRE P78334 4/20 0.50
GABRA6 Q16445 4/20 0.50
GABRG1 Q8N1C3 4/20 0.50
GABRG3 Q99928 4/20 0.50

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
SCHEMBL29472459 1.00 AHR (0.55) AHRALDH1A1GPR3HSD17B10ACHE
SCHEMBL1982871 0.85 GABRP (0.64) AHRALDH1A1GABRPGABRDGABRA1
SCHEMBL23803036 0.78 AHR (0.55) AHRALDH1A1GPR3HSD17B10ACHE
SCHEMBL31180481 0.78 AHR (0.55) AHRALDH1A1GPR3HSD17B10ACHE
SCHEMBL13100678 0.78 KIF11 (0.56) AHRALDH1A1GPR3HSD17B10ACHE
SCHEMBL17967637 0.77 MAPT (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19270254 0.74 MAPT (0.51) AHRALDH1A1GPR3HSD17B10ACHE
SCHEMBL31180480 0.74 GABRP (0.77) AHRALDH1A1HSD17B10GABRPGABRD
SCHEMBL12219476 0.73 AHR (1.00) AHRALDH1A1GPR3HSD17B10TOP2A
SCHEMBL12219478 0.73 AHR (1.00) AHRALDH1A1GPR3HSD17B10TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634962-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2020-04-15 EP disclosed
WO-2018226998-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-13 WO disclosed
US-20100162416-A1 Multi-stage stem cell carcinogenesis STEMLIFELINE, INC. (US) 2010-06-24 US disclosed
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 WO disclosed
EP-0680517-B2 METHODS AND DIAGNOSTIC KITS UTILIZING MAMMALIAN STRESS PROMOTERS TO DETERMINE TOXICITY OF A COMPOUND HARVARD COLLEGE (US) 2005-01-19 EP disclosed
US-20030219714-A1 Methods and diagnostic kits utilizing mammalian stress promoters to determine toxicity of a compound PRESIDENT AND FELLOWS OF HARVARD COLLEGE AND XENOMETRIX, INC. 2003-11-27 US disclosed
EP-0680517-B1 METHODS AND DIAGNOSTIC KITS UTILIZING MAMMALIAN STRESS PROMOTERS TO DETERMINE TOXICITY OF A COMPOUND HARVARD COLLEGE (US) 1997-11-12 EP disclosed