SCHEMBL10364438

SCHEMBL10364438

COC(=O)c1c(Cl)cc(C(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
KDM4E B2RXH2 4/20 0.39
SDHB P21912 2/20 0.39
NOTUM Q6P988 3/20 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
SCHEMBL10364482 0.91 GABRP (0.39) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL1327502 0.88 GABRP (0.40) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL6734856 0.84 CYP3A4 (0.44) MAPTKDM4ESDHBNOTUMGAA
SCHEMBL10363867 0.84 KDM4E (0.46) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL22208699 0.83 IGF1R (0.40) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL31697063 0.83 IGF1R (0.40) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL10363011 0.83 KDM4E (0.41) MAPTKDM4ESDHBNOTUMNPC1
SCHEMBL10364788 0.79 KDM4E (0.38) MAPTKDM4ESDHBNOTUMNPC1
SCHEMBL10364605 0.76 ALDH1A1 (0.44) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL1328123 0.76 MRGPRX4 (0.39) MAPTKDM4EGAAALDH1A1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0181852-B1 SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS Monsanto Company (US) 1990-08-29 EP disclosed
US-4747871-A 2,6-bis(trifluoromethyl)-3-hydroxycarbonyl pyridine, salts and gametocides MONSANTO COMPANY (US) 1988-05-31 US disclosed
US-4655816-A PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1987-04-07 US disclosed
EP-0181852-A1 Substituted 2,6-substituted pyridine compounds Monsanto Company (US) 1986-05-21 EP disclosed