SCHEMBL4741277

SCHEMBL4741277

Cc1ccccc1-n1cc(-c2ccccc2)[nH]c1=S

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.68
RAB9A P51151 7/20 0.63
NPC1 O15118 4/20 0.61
KMT2A Q03164 4/20 0.58
HPGD P15428 1/20 0.55
MEN1 O00255 2/20 0.53
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GFER P55789 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 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
SCHEMBL4737060 0.78 RAB9A (1.00) GAARAB9ANPC1KMT2AHPGD
SCHEMBL4735887 0.75 RAB9A (0.93) GAARAB9ANPC1KMT2AHPGD
SCHEMBL4739354 0.74 RAB9A (0.78) GAARAB9ANPC1KMT2AHPGD
SCHEMBL259629 0.72 RAB9A (0.59) GAARAB9ANPC1KMT2AHPGD
SCHEMBL4799793 0.71 RAB9A (0.59) GAARAB9ANPC1KMT2AHPGD
SCHEMBL18292671 0.71 RAB9A (0.78) GAARAB9ANPC1KMT2AHPGD
SCHEMBL4738476 0.71 RAB9A (0.78) GAARAB9ANPC1KMT2AHPGD
SCHEMBL3159586 0.68 RAB9A (0.59) GAARAB9ANPC1KMT2AHPGD
SCHEMBL3159327 0.68 KMT2A (0.55) GAARAB9ANPC1KMT2AHPGD
SCHEMBL14147621 0.68 RAB9A (0.71) GAARAB9ANPC1KMT2AHPGD

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