SCHEMBL9873449

SCHEMBL9873449

O=c1cc(-c2ccc(F)cc2F)[nH]c2cccc(C(F)(F)F)c12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.50
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
THRB P10828 2/20 0.50
LMNA P02545 4/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
MTOR P42345 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TRPA1 O75762 1/20 0.34
FFAR1 O14842 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
SCHEMBL9874866 0.87 NPC1 (0.47) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL9872630 0.83 CTSV (0.57) HPGDALDH1A1MEN1KMT2ATHRB
SCHEMBL9874829 0.82 HPGD (0.60) HPGDALDH1A1MEN1KMT2ATHRB
SCHEMBL9872701 0.75 HPGD (0.43) HPGDALDH1A1MEN1KMT2ATHRB
SCHEMBL9872034 0.74 KMT2A (0.56) HPGDALDH1A1MEN1KMT2ATHRB
SCHEMBL9872054 0.74 HPGD (0.56) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL311951 0.72 AR (0.47) HPGDALDH1A1MEN1KMT2ATHRB
SCHEMBL19032114 0.72 MAPT (0.49) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL9874994 0.71 KDM4E (0.59) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL9872570 0.70 CYP19A1 (0.46) HPGDALDH1A1MEN1KMT2ALMNA

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
US-5017576-A Antianxiolytic, hypnotic, anticonvulsant, antiepileptic RHONE-POULENC SANTE (FR) 1991-05-21 US disclosed