SCHEMBL9757552

SCHEMBL9757552

Cc1c(Nc2nccs2)cccc1C(F)(F)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
DHODH Q02127 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
PLA2G7 Q13093 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
PKM P14618 2/20 0.36
CCR4 P51679 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5850472 0.76 ALDH1A1 (0.50) ALDH1A1TDP1HDAC6MEN1KMT2A
SCHEMBL9851135 0.71 TDP1 (0.59) ALDH1A1TDP1GAAPLA2G7PKM
SCHEMBL788751 0.67 ALDH1A1 (0.54) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL899333 0.65 ALDH1A1 (0.59) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL31069449 0.65 ALDH1A1 (0.59) ALDH1A1TDP1MEN1KMT2ANPSR1
SCHEMBL11159476 0.65 ALDH1A1 (0.59) ALDH1A1TDP1HDAC6MEN1KMT2A
SCHEMBL18550722 0.65 ALDH1A1 (0.59) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL899473 0.65 ALDH1A1 (0.57) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL3529264 0.64 ALDH1A1 (0.47) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL28924950 0.64 CYP1A2 (0.64) ALDH1A1TDP1MAPTGAAPKM

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-5008280-A Treatment of glutamate-induced convulsions, schizophrenia RHONE-POULENC SANTE (FR) 1991-04-16 US disclosed