SCHEMBL7651944

SCHEMBL7651944

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(C3=COC(Cc4ccccc4)O3)c(O)c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.39
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
NR1I2 O75469 1/20 0.37
NR3C1 P04150 1/20 0.37
ADRA1A P35348 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP2C9 P11712 1/20 0.37
PPIF P30405 1/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APEX1 P27695 1/20 0.37
KDR P35968 1/20 0.36

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
SCHEMBL7662615 0.92 CA12 (0.38) MEN1KMT2AMAPTPOLBKCNH2
SCHEMBL7654027 0.89 MAOA (0.37) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL7663238 0.86 EGFR (0.39) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL7852165 0.86 SNCA (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL926119 0.85 KDM4E (0.40) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL7666892 0.85 SNCA (0.45) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL7660127 0.84 CCR3 (0.44) PPIAMEN1KMT2AMAPTLMNA
SCHEMBL7666776 0.83 MAPT (0.38) MEN1KMT2AMAPTPOLBNPC1
Hydrochloric Acid SCHEMBL926191 0.82 KDM4E (0.39) MEN1KMT2AMAPTPOLBKCNH2
SCHEMBL7664375 0.81 MAPT (0.43) MEN1KMT2AMAPTPOLBNPC1

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