SCHEMBL5317632

SCHEMBL5317632

O=C(O)CCc1nn(Cc2ccc(F)cc2Cl)c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.42
PPARG P37231 1/20 0.40
TP53 P04637 4/20 0.40
FFAR4 Q5NUL3 4/20 0.39
PLA2G10 O15496 3/20 0.39
PLA2G2A P14555 3/20 0.39
PLA2G5 P39877 2/20 0.39
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
MCTS1 Q9ULC4 1/20 0.39
RORC P51449 2/20 0.39
GCGR P47871 1/20 0.39
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
FFAR1 O14842 1/20 0.38
SCN5A Q14524 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 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
SCHEMBL5322288 0.95 FFAR4 (0.41) SLC22A12PPARGTP53FFAR4PLA2G10
SCHEMBL5319646 0.92 PPARG (0.49) SLC22A12PPARGPLA2G10PLA2G2APLA2G5
SCHEMBL5323079 0.91 AKR1B1 (0.43) SLC22A12FFAR4PLA2G10PLA2G2APLA2G5
SCHEMBL5318163 0.91 AKR1B1 (0.46) SLC22A12TP53SLC16A3SLC16A1MCTS1
SCHEMBL5319971 0.89 F2RL3 (0.40) TP53SLC16A3SLC16A1MCTS1CYP2C9
SCHEMBL5316549 0.87 SLC22A12 (0.42) SLC22A12PPARGFFAR4PLA2G10PLA2G2A
SCHEMBL5316023 0.87 PPARG (0.46) SLC22A12PPARGFFAR4SLC16A3SLC16A1
SCHEMBL5269646 0.87 F2RL3 (0.39) TP53CYP2C9SCN5ACYP1A2CYP3A4
SCHEMBL5321104 0.86 F2RL3 (0.45) TP53MAPTCYP2C9CYP1A2CYP3A4
SCHEMBL5339999 0.86 F2RL3 (0.38) TP53CYP2C9SCN5ACYP1A2CYP3A4

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
EP-2502624-A1 Lonidamine analogues and their use in male contraception and cancer treatment THE UNIVERSITY OF KANSAS (US) 2012-09-26 EP claimed
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