SCHEMBL9874866

SCHEMBL9874866

O=c1cc(-c2ccccc2F)[nH]c2cccc(C(F)(F)F)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
MTOR P42345 1/20 0.47
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
FFAR1 O14842 2/20 0.40
TRPA1 O75762 1/20 0.39
CSNK1D P48730 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
CDC7 O00311 1/20 0.38
KIF11 P52732 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 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
SCHEMBL9873449 0.87 HPGD (0.50) NPC1MTORFFAR1TRPA1LMNA
SCHEMBL9872630 0.80 CTSV (0.57) LMNAHPGDKDM4EMEN1ALDH1A1
SCHEMBL9874829 0.78 HPGD (0.60) CSNK1DLMNAHPGDCDC7KDM4E
SCHEMBL9872701 0.77 HPGD (0.43) LMNAHPGDKDM4EMEN1ALDH1A1
SCHEMBL9872054 0.76 HPGD (0.56) NPC1LMNAHPGDKDM4EMEN1
SCHEMBL9872034 0.76 KMT2A (0.56) NPC1LMNAHPGDKDM4EMEN1
SCHEMBL339070 0.75 CTSV (0.62) NPC1MTORADORA2AADORA1LMNA
SCHEMBL29411907 0.75 CTSV (0.62) NPC1MTORADORA2AADORA1LMNA
SCHEMBL339993 0.74 NPC1 (0.48) NPC1MTORADORA2AADORA1FFAR1
SCHEMBL19032114 0.74 MAPT (0.49) LMNAHPGDKIF11KDM4EMEN1

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