SCHEMBL9874829

SCHEMBL9874829

O=c1cc(-c2cccc(F)c2)[nH]c2cccc(C(F)(F)F)c12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.60
LMNA P02545 5/20 0.60
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 1/20 0.53
THRB P10828 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 4/20 0.52
MAPT P10636 1/20 0.52
AHR P35869 1/20 0.50
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
CSNK1D P48730 1/20 0.41
CDC7 O00311 1/20 0.40

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
SCHEMBL9872630 0.88 CTSV (0.57) HPGDLMNAALDH1A1MEN1THRB
SCHEMBL9872701 0.85 HPGD (0.43) HPGDLMNAALDH1A1MEN1THRB
SCHEMBL9873449 0.82 HPGD (0.50) HPGDLMNAALDH1A1MEN1THRB
SCHEMBL9872054 0.81 HPGD (0.56) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL9872034 0.81 KMT2A (0.56) HPGDLMNAALDH1A1MEN1THRB
SCHEMBL9874866 0.78 NPC1 (0.47) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL9874994 0.78 KDM4E (0.59) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL9872570 0.77 CYP19A1 (0.46) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL340806 0.76 ALDH1A1 (0.60) HPGDLMNAALDH1A1MEN1THRB
SCHEMBL19032114 0.74 MAPT (0.49) HPGDLMNAALDH1A1MEN1KMT2A

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