SCHEMBL7651939

SCHEMBL7651939

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccc4c(c3)OCO4)c(O)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.55
MEN1 O00255 9/20 0.55
RAB9A P51151 9/20 0.55
NPC1 O15118 8/20 0.55
MAPT P10636 6/20 0.55
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
ALOX12 P18054 1/20 0.55
CASP1 P29466 1/20 0.55
HTT P42858 1/20 0.55
CASP7 P55210 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.54
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA12 O43570 1/20 0.46

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
SCHEMBL7662602 0.88 RAB9A (0.66) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7654020 0.87 RAB9A (0.59) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7652030 0.86 MEN1 (0.51) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL926117 0.83 MAPT (0.64) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7663231 0.83 RAB9A (0.59) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7666772 0.80 NPC1 (0.64) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7660111 0.80 RAB9A (0.56) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7852156 0.80 NPC1 (0.60) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7644822 0.80 MAPT (0.62) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7666885 0.79 NPC1 (0.65) KMT2AMEN1RAB9ANPC1MAPT

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
US-6500846-B1 2-(4-CHLOROPHENYL)-7-METHOXYCHROMEN-4-ONE, AS CYCLIN-DEPENDENT KINASE INHIBITORS, USED AS ANTICARCINOGENIC AGENTS OR FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASE LG CHEMICAL, LTD. (KR) 2002-12-31 US disclosed
EP-1109800-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LIMITED (KR) 2001-06-27 EP disclosed
WO-2000012496-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LTD. (KR) 2000-03-09 WO disclosed