SCHEMBL10463529

SCHEMBL10463529

Cc1c(C(=O)O)c(=O)c(Br)c(-c2ccc(Cl)cc2)n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
BCL2L1 Q07817 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
DHODH Q02127 3/20 0.37
VDR P11473 1/20 0.36
AHR P35869 1/20 0.36
LMNA P02545 1/20 0.36
MAP4K4 O95819 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
CNR2 P34972 2/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL10462636 0.87 CYP2C19 (0.42) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10462127 0.86 CYP2C19 (0.41) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10462642 0.86 BCL2L1 (0.41) KMT2AMEN1BCL2L1NPC1RAB9A
SCHEMBL10462656 0.78 LMNA (0.44) KMT2ABCL2L1NPC1RAB9AMAPT
SCHEMBL9330602 0.77 KMT2A (0.76) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10461757 0.77 LMNA (0.43) KMT2ABCL2L1NPC1RAB9AMAPT
SCHEMBL2214969 0.76 CYP1A2 (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL9331283 0.75 CYP2C19 (0.42) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10462126 0.75 CYP2C19 (0.38) KMT2AMEN1BCL2L1NPC1RAB9A
SCHEMBL10463094 0.75 CYP2C19 (0.42) NPC1RAB9AMAPTKDM4ESMN1; SMN2

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-4964896-A GAMETOCIDES MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4936904-A Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants MONSANTO TECHNOLOGY LLC 1990-06-26 US disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed