SCHEMBL10463516

SCHEMBL10463516

Cn1c(-c2ccccc2)cc(=O)c(C(=O)O)c1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MTHFD2 P13995 1/20 0.39
DHODH Q02127 3/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
COMT P21964 1/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10462415 0.96 KMT2A (0.42) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10463700 0.94 KMT2A (0.41) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10460643 0.92 HPGD (0.51) HPGDKMT2AMTHFD2ALDH1A1KDM4E
SCHEMBL10462655 0.90 HPGD (0.50) HPGDKMT2AMTHFD2ALDH1A1KDM4E
SCHEMBL10460463 0.90 KMT2A (0.46) KMT2AMEN1DHODHSMN1; SMN2TP53
SCHEMBL10463389 0.88 HPGD (0.46) HPGDKMT2AMEN1MTHFD2DHODH
SCHEMBL10462125 0.86 HPGD (0.44) HPGDKMT2AMEN1MTHFD2DHODH
SCHEMBL10462144 0.84 KDM4C (0.42) HPGDKDM4ESMN1; SMN2
SCHEMBL10463699 0.82 DHODH (0.39) HPGDDHODH
SCHEMBL10596774 0.82 ABCB1 (0.40) HPGDKMT2AMEN1ALDH1A1KDM4E

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