SCHEMBL9542924

SCHEMBL9542924

COC(=O)CNCCc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
HDAC1 Q13547 1/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 1/20 0.52
PLAAT3 P53816 2/20 0.52
PLAAT5 Q96KN8 2/20 0.52
PLAAT2 Q9NWW9 2/20 0.52
PLAAT4 Q9UL19 2/20 0.52
POLB P06746 1/20 0.51
CNR1 P21554 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL11953351 0.85 HDAC1 (0.54) HDAC1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL7374223 0.84 MEN1 (0.49) TAAR1HDAC1ALDH1A1KMT2AMEN1
SCHEMBL31663467 0.83 ALDH1A1 (0.54) TAAR1HDAC1PKMALDH1A1KMT2A
SCHEMBL31370008 0.83 ALDH1A1 (0.67) TAAR1HDAC1PKMALDH1A1KMT2A
SCHEMBL9544072 0.82 CHRM2 (0.60) ALDH1A1KMT2ASMN1; SMN2MEN1CNR1
SCHEMBL14432356 0.82 TAAR1 (0.55) TAAR1PKMCNR1NPC1RAB9A
SCHEMBL9545043 0.81 KMT2A (0.54) TAAR1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9544244 0.81 CYP1A2 (0.51) TAAR1KMT2ASMN1; SMN2MEN1PLAAT3
SCHEMBL7246282 0.81 CA12 (0.56) TAAR1ALDH1A1KMT2AMEN1PLAAT3
SCHEMBL19438684 0.79 PLAAT3 (0.51) TAAR1ALDH1A1KMT2ASMN1; SMN2MEN1

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed