SCHEMBL4736668

SCHEMBL4736668

CC(C(=O)O)n1cc(-c2ccccc2)[nH]c1=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
GFER P55789 2/20 0.50
GAA P10253 7/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 5/20 0.46
HPGD P15428 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
APOBEC3G Q9HC16 2/20 0.43
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
MCL1 Q07820 1/20 0.40
AHR P35869 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP5 P45974 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
SCHEMBL4784947 0.87 GFER (0.50) RAB9AGFERGAAKMT2ANPC1
SCHEMBL4799793 0.82 RAB9A (0.59) RAB9AGFERGAAKMT2ANPC1
SCHEMBL4740360 0.80 ALOX15 (0.48) RAB9AGFERGAAKMT2AHPGD
SCHEMBL4740852 0.79 RAB9A (0.51) RAB9AGFERGAAKMT2ANPC1
SCHEMBL4740458 0.75 HTT (0.47) GFERKMT2AMAPTKDM4EMEN1
SCHEMBL4786062 0.72 RAB9A (0.50) RAB9AGFERGAAKMT2ANPC1
SCHEMBL4497139 0.71 ALDH1A1 (0.43) RAB9AGAAKMT2AHPGDMAPT
SCHEMBL259629 0.70 RAB9A (0.59) RAB9AGFERGAAKMT2ANPC1
SCHEMBL3159586 0.70 RAB9A (0.59) RAB9AGFERGAAKMT2ANPC1
SCHEMBL4785588 0.70 GFER (0.47) RAB9AGFERGAAKMT2ANPC1

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