SCHEMBL9494592

SCHEMBL9494592

O=C(O)C1=CN(Nc2cccc(Cl)c2)CC=C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 5/20 0.43
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
GRIK1 P39086 1/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5257296 0.88 MEN1 (0.42) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL9495346 0.86 TDP1 (0.35) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL9498592 0.84 NPC1 (0.41) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL9494505 0.83 KMT2A (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9495360 0.82 HTT (0.44) MAPTKMT2AMEN1LMNAHTT
SCHEMBL9497255 0.82 MAPT (0.46) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL9495088 0.81 RAB9A (0.47) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL9494243 0.76
SCHEMBL9499235 0.74 MEN1 (0.39) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL9496926 0.72 POLB (0.43) NPC1RAB9AKMT2AMEN1HTT

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-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed