SCHEMBL10821728

SCHEMBL10821728

COc1cc(=O)[nH]c2nc(CN(C)C)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
TNKS O95271 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
NQO2 P16083 2/20 0.36
CYP19A1 P11511 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
BRD9 Q9H8M2 5/20 0.35
BRD7 Q9NPI1 5/20 0.35
BRD4 O60885 2/20 0.35
BRD2 P25440 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL3019661 0.79 ADORA2A (0.49) ARKDM4ENQO2CYP19A1SMN1; SMN2
SCHEMBL11592378 0.76 ADORA1 (0.53) ARKDM4ENQO2CYP19A1HSD17B10
SCHEMBL6120242 0.61 KDM4E (0.71) KDM4ETDP1MAPTMAPK1HPGD
SCHEMBL2799080 0.60 TNKS2 (0.61) ARKDM4ENQO2SMN1; SMN2MAPT
SCHEMBL5925823 0.60 AXL (0.37) BRD4CYP2D6
SCHEMBL31664571 0.60 TNKS2 (0.61) ARKDM4ENQO2SMN1; SMN2MAPT
SCHEMBL11462667 0.60 PDE3B (0.41) TDP1ALDH1A1LMNA
SCHEMBL29830469 0.60 KDM4E (0.49) ARKDM4ENQO2CYP19A1SMN1; SMN2
SCHEMBL27030415 0.60 KDM4E (0.49) ARKDM4ENQO2CYP19A1SMN1; SMN2
SCHEMBL13834917 0.59 LRRK2 (0.45)

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
EP-0126753-A4 STABILIZERS FOR DYE LASERS. UNIVERSITY PATENTS INC (US) 1986-11-05 EP disclosed
EP-0126753-A1 STABILIZERS FOR DYE LASERS UNIVERSITY PATENTS, INC. (US) 1984-12-05 EP disclosed
WO-1984001956-A1 STABILIZERS FOR DYE LASERS UNIVERSITY PATENTS INC (US) 1984-05-24 WO disclosed