SCHEMBL9569213

SCHEMBL9569213

Cc1cnc(Br)c(C(=O)O)c1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
AHR P35869 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6988302 0.74 FABP3 (0.46) DHODHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27141348 0.72 ALDH1A1 (0.38) DHODHSMN1; SMN2CYP3A4KDM4E
SCHEMBL9157192 0.71 KMO (0.46) DHODHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28750800 0.69 NPC1 (0.46) DHODHNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6991333 0.69 LDHA (0.44) DHODHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9177570 0.68 SMN1; SMN2 (0.55) DHODHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2024165 0.67 LMNA (0.51) DHODHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28983305 0.67 NPC1 (0.48) DHODHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27853952 0.67 NPC1 (0.48) DHODHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28780842 0.67 ATR (0.50) NPC1RAB9ASMN1; SMN2MAPTCYP2C9

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
EP-0532761-A1 PYRIDINE DERIVATIVE, PRODUCTION THEREOF, HERBICIDE AND METHOD OF WEEDING KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-03-24 EP disclosed