SCHEMBL10576992

SCHEMBL10576992

Oc1cccc(-c2nccs2)c1S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.44
PDPK1 O15530 1/20 0.43
RAB9A P51151 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CYP2A6 P11509 1/20 0.39
HSP90AA1 P07900 1/20 0.38
ADRA1A P35348 3/20 0.36
ADRA1D P25100 2/20 0.36
CYP19A1 P11511 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ADRA2A P08913 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
AR P10275 1/20 0.35
SMPD3 Q9NY59 1/20 0.35

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
SCHEMBL1954807 0.82 PDPK1 (0.46) CASP6PDPK1RAB9ALOXL2CYP2A6
SCHEMBL29658188 0.82 PDPK1 (0.53) CASP6PDPK1RAB9ALOXL2CYP2A6
SCHEMBL23297 0.82 PDPK1 (0.53) CASP6PDPK1RAB9ALOXL2CYP2A6
SCHEMBL5945842 0.80 PDPK1 (0.52) CASP6PDPK1RAB9ALOXL2CYP2A6
SCHEMBL6067988 0.80 PDPK1 (0.50) CASP6PDPK1RAB9ALOXL2CYP2A6
SCHEMBL14862855 0.79 HSP90AA1 (0.45) CASP6PDPK1RAB9ALOXL2CYP2A6
Bromide SCHEMBL2363116 0.78 HSP90AA1 (0.44) CASP6PDPK1RAB9ALOXL2CYP2A6
SCHEMBL27669186 0.77 PDPK1 (0.48) CASP6PDPK1RAB9ACYP2A6HSP90AA1
SCHEMBL26259560 0.75 PDPK1 (0.54) PDPK1RAB9ALOXL2CYP2A6HSP90AA1
SCHEMBL5692672 0.75 PDPK1 (0.64) CASP6PDPK1RAB9ALOXL2CYP2A6

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-4865641-A Herbicidal new thiazolyl ether and thioether derivatives BAYER AKTIENGESELLSCHAFT (DE) 1989-09-12 US disclosed
EP-0281907-A1 Thiazolyl ether and thioether derivatives BAYER AG (DE) 1988-09-14 EP disclosed