SCHEMBL9875005

SCHEMBL9875005

COc1ccc(C2=Nc3cccc(C(F)(F)F)c3C(=O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
LMNA P02545 5/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HTT P42858 1/20 0.40
MAPK1 P28482 2/20 0.39
ACHE P22303 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
ENPP1 P22413 1/20 0.36

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
SCHEMBL9872061 0.86 RAB9A (0.45) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL9872637 0.85 MAPT (0.40) MAPTALDH1A1THRBTP53
SCHEMBL9872038 0.84 NOTUM (0.36) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL9872580 0.80 MAPT (0.43) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL9872713 0.79 CYP3A4 (0.41)
SCHEMBL9874835 0.78 TP53 (0.43) MAPTSMN1; SMN2THRBTP53CYP11B2
SCHEMBL9874871 0.73 PDE3B (0.37)
SCHEMBL9874259 0.72 MAPT (0.46) MAPTLMNAALDH1A1KDM4ENPC1
SCHEMBL9873453 0.71 P2RX7 (0.35) MAPTSMN1; SMN2THRBTP53
SCHEMBL29640556 0.70 KDM4E (0.68) MAPTLMNAALDH1A1KDM4ENPC1

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