SCHEMBL7285990

SCHEMBL7285990

NOCCCn1ccnc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.63
QPCT Q16769 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.50
NOS1 P29475 1/20 0.50
POLB P06746 1/20 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
SCHEMBL7294349 0.94 TBXAS1 (0.67) TBXAS1MEN1KMT2AMAPK1NOS1
SCHEMBL15133511 0.88
SCHEMBL937596 0.80 TBXAS1 (0.95) TBXAS1
SCHEMBL9777196 0.80 TBXAS1 (0.85) TBXAS1HSD17B10
SCHEMBL762532 0.80 TBXAS1 (0.63) TBXAS1QPCTMEN1KMT2AATM
SCHEMBL1679410 0.78 TBXAS1 (1.00) TBXAS1
SCHEMBL939851 0.78 TBXAS1 (1.00) TBXAS1
SCHEMBL10247600 0.78 TBXAS1 (1.00) TBXAS1
SCHEMBL285054 0.78 TBXAS1 (1.00) TBXAS1
SCHEMBL2533366 0.78 TBXAS1 (1.00) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016023330-A1 QUINAZOLINE DERIVATIVE 石药集团中奇制药技术(石家庄)有限公司 2016-02-18 WO disclosed
US-5081131-A Omega-((hetero)alkyl)benz(cd)-indol-2-amines AMERICAN CYANAMID COMPANY (US) 1992-01-14 US disclosed
EP-0230035-A2 Omega-[(hetero)alkyl]benz[cd]indol-2-amines AMERICAN CYANAMID COMPANY (US) 1987-07-29 EP disclosed