SCHEMBL7662602

SCHEMBL7662602

O=C(Nc1ccccc1)Nc1ccc2oc(-c3ccc4c(c3)OCO4)c(O)c(=O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.66
NPC1 O15118 12/20 0.66
KMT2A Q03164 6/20 0.66
MEN1 O00255 5/20 0.66
MAPT P10636 4/20 0.66
TP53 P04637 2/20 0.66
KDM4E B2RXH2 2/20 0.66
ALOX12 P18054 1/20 0.66
CASP1 P29466 1/20 0.66
HTT P42858 1/20 0.66
CASP7 P55210 1/20 0.66
CNR1 P21554 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 2/20 0.49
PAX8 Q06710 1/20 0.48

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
SCHEMBL7654020 0.91 RAB9A (0.59) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7663231 0.91 RAB9A (0.59) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7852156 0.90 NPC1 (0.60) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7666885 0.89 NPC1 (0.65) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7660111 0.88 RAB9A (0.56) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7651939 0.88 KMT2A (0.55) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL926117 0.87 MAPT (0.64) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7658406 0.84 KDM4E (0.62) KMT2AMEN1MAPTTP53KDM4E
SCHEMBL7666772 0.84 NPC1 (0.64) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7644822 0.84 MAPT (0.62) RAB9ANPC1KMT2AMEN1MAPT

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 1 patent. 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