SCHEMBL10463528

SCHEMBL10463528

Cc1c(C(=O)O)c(=O)c(-c2ccccc2)cn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
CREBBP Q92793 4/20 0.45
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
GFER P55789 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
APAF1 O14727 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL10462363 0.98 BRD4 (0.46) BRD4CREBBPKMT2AMEN1GFER
SCHEMBL10462364 0.86 BRD4 (0.44) BRD4CREBBPKMT2AMEN1ALDH1A1
SCHEMBL10462413 0.86 RAB9A (0.46) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL10462641 0.86 ABCB1 (0.43) BRD4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL10462900 0.86 KMT2A (0.39) BRD4CREBBPKMT2AMEN1GFER
SCHEMBL10462410 0.85 KMT2A (0.38) BRD4CREBBPKMT2AMEN1GFER
SCHEMBL10462777 0.85 RAB9A (0.45) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL10463739 0.84 EGFR (0.49) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL10463609 0.83 GFER (0.52) BRD4KMT2AMEN1GFERALDH1A1
SCHEMBL10463835 0.83 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4EHPGD

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