SCHEMBL9874994

SCHEMBL9874994

COc1ccc(-c2cc(=O)c3c(C(F)(F)F)cccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
ALDH1A1 P00352 9/20 0.59
HPGD P15428 8/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 3/20 0.59
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 3/20 0.52
GLA P06280 1/20 0.52
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
MAPK1 P28482 1/20 0.46
MAP2K1 Q02750 1/20 0.46

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
SCHEMBL9872054 0.86 HPGD (0.56) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL9872630 0.84 CTSV (0.57) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL9872034 0.83 KMT2A (0.56) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL9872701 0.79 HPGD (0.43) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL9872570 0.79 CYP19A1 (0.46) KDM4EALDH1A1HPGDLMNANPC1
SCHEMBL9874829 0.78 HPGD (0.60) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6534639 0.74 HPGD (1.00) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL29411859 0.74 HPGD (1.00) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL19032114 0.74 MAPT (0.49) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL9874866 0.73 NPC1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2LMNA

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