SCHEMBL8603592

SCHEMBL8603592

COc1c(C)ccc2c(=S)cc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP19A1 P11511 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ CCR8 P51685 1/20 0.31

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
SCHEMBL8603454 0.78 CCR8 (0.34) RXFP1ALDH1A1KDM4EPOLBGAA
SCHEMBL8602787 0.71 MAPT (0.55) RXFP1ALDH1A1POLBGAAMAPT
SCHEMBL8603311 0.70 HTR2A (0.46) RXFP1ALDH1A1KDM4ENQO2POLB
SCHEMBL26145362 0.69 NQO2 (0.40) RXFP1ALDH1A1KDM4ECYP19A1NQO2
SCHEMBL8600224 0.68 CSNK2A2 (0.43) MAPTCCR8
SCHEMBL15315856 0.68 KDM4E (0.52) RXFP1ALDH1A1KDM4ECYP19A1NQO2
SCHEMBL6270065 0.67 RHEB (0.41) RXFP1ALDH1A1KDM4EPOLBADRA2A
SCHEMBL30483746 0.67 RHEB (0.41) RXFP1ALDH1A1KDM4EPOLBADRA2A
SCHEMBL12034737 0.67 PARP1 (0.41) ALDH1A1KDM4ECYP19A1NQO2
SCHEMBL26145361 0.66 NQO2 (0.40) RXFP1ALDH1A1KDM4ECYP19A1NQO2

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
US-5773449-A BACTERICIDES FOR HELICOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1998-06-30 — — US disclosed
EP-0786454-A1 THIOQUINOLONE DERIVATIVE ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1997-07-30 — — EP disclosed
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