SCHEMBL7083519

SCHEMBL7083519

CC(=O)[N]c1c(-c2cccc(O)c2)nc2ccc(C)cn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
NR1H4 Q96RI1 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL5166493 0.73 KDM4E (0.45) KDM4EHPGDHSD17B10RAB9AALDH1A1
SCHEMBL2680883 0.71 HPGD (0.54) KDM4EHPGDHSD17B10RAB9AALDH1A1
SCHEMBL21708003 0.66 NPC1 (0.65) KDM4EHPGDHSD17B10RAB9AALDH1A1
SCHEMBL7820531 0.65 NPC1 (0.72) KDM4EHPGDHSD17B10RAB9AALDH1A1
SCHEMBL6012095 0.64 RAB9A (0.59) KDM4EHPGDHSD17B10RAB9AALDH1A1
SCHEMBL18136532 0.62 NR1H4 (0.59) KDM4EHPGDHSD17B10RAB9AALDH1A1
SCHEMBL8288559 0.62 TP53 (0.59) KDM4EHPGDHSD17B10RAB9AALDH1A1
SCHEMBL1691250 0.61 NR1H4 (0.61) HSD17B10TSHRNR1H4ATMALOX5
SCHEMBL32688225 0.61 HPGD (0.55) KDM4EHPGDHSD17B10RAB9AALDH1A1
SCHEMBL2929266 0.61 GABRA1 (0.74) KDM4EHPGDHSD17B10RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP disclosed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO disclosed