SCHEMBL5317487

SCHEMBL5317487

OCc1nn(Cc2ccc(F)cc2F)c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 10/20 0.52
KCNK3 O14649 1/20 0.42
AKR1B1 P15121 1/20 0.39
RORC P51449 1/20 0.38
PPM1A P35813 1/20 0.37
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
ALOX5AP P20292 2/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM5 P08912 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL5323273 0.92 F2RL3 (0.46) F2RL3KCNK3AKR1B1RORCPPM1A
SCHEMBL5316861 0.90 F2RL3 (0.45) F2RL3KCNK3AKR1B1RORCPPM1A
SCHEMBL5321104 0.89 F2RL3 (0.45) F2RL3CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL5316306 0.89 F2RL3 (0.42) F2RL3AKR1B1RORCCYP2C9CYP1A2
SCHEMBL5342237 0.89 F2RL3 (0.44) F2RL3KCNK3AKR1B1RORCPPM1A
SCHEMBL5346581 0.88 F2RL3 (0.43) F2RL3KCNK3AKR1B1RORCPPM1A
SCHEMBL5323079 0.86 AKR1B1 (0.43) F2RL3KCNK3AKR1B1RORCCYP2C9
SCHEMBL5317096 0.85 AKR1B1 (0.43) F2RL3KCNK3AKR1B1RORCCYP2C9
SCHEMBL27956755 0.83 KCNK3 (0.41) F2RL3KCNK3AKR1B1RORCCYP2C9
SCHEMBL5321176 0.83 F2RL3 (0.45) F2RL3KCNK3RORCPPM1ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP claimed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO claimed