SCHEMBL4738902

SCHEMBL4738902

S=c1[nH]c(-c2ccc(Cl)cc2)cn1-c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.78
MAPT P10636 3/20 0.66
RXFP1 Q9HBX9 2/20 0.66
TP53 P04637 2/20 0.64
MCL1 Q07820 1/20 0.64
KMT2A Q03164 7/20 0.63
NPC1 O15118 5/20 0.63
MEN1 O00255 4/20 0.63
GAA P10253 4/20 0.63
HPGD P15428 2/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
ALOX12 P18054 1/20 0.55
GFER P55789 1/20 0.52
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL18292671 0.94 RAB9A (0.78) RAB9AMAPTRXFP1TP53MCL1
SCHEMBL4735887 0.88 RAB9A (0.93) RAB9AMAPTRXFP1TP53KMT2A
SCHEMBL4737060 0.88 RAB9A (1.00) RAB9AMAPTRXFP1TP53KMT2A
SCHEMBL4739354 0.84 RAB9A (0.78) RAB9AMAPTRXFP1TP53KMT2A
SCHEMBL4738136 0.84 RAB9A (0.78) RAB9AMAPTTP53KMT2ANPC1
SCHEMBL4739304 0.84 RAB9A (0.78) RAB9AMAPTRXFP1TP53MCL1
SCHEMBL4736959 0.84 RAB9A (0.88) RAB9AMAPTRXFP1TP53KMT2A
SCHEMBL4787183 0.80 KMT2A (0.89) RAB9AMAPTRXFP1TP53KMT2A
SCHEMBL4784413 0.80 RAB9A (0.71) RAB9AMAPTTP53KMT2ANPC1
SCHEMBL4740266 0.80 RAB9A (0.71) RAB9AMAPTRXFP1TP53KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO claimed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed