SCHEMBL11211014

SCHEMBL11211014

Cc1cccc(-c2nccs2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.46
CTSA P10619 1/20 0.43
PLA2G7 Q13093 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP17A1 P05093 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
ADRA1A P35348 3/20 0.38
ADRA1D P25100 2/20 0.38
HTR2C P28335 1/20 0.38
SRC P12931 1/20 0.38
CDK2 P24941 1/20 0.38
ZAP70 P43403 1/20 0.38
SYK P43405 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRA1B P35368 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL1047236 0.85 PDPK1 (0.53) PDPK1CTSAPLA2G7LOXL2CYP2A6
SCHEMBL10336938 0.82 CTSA (0.45) PDPK1CTSALOXL2CYP2A6RAB9A
SCHEMBL28355309 0.80 PDPK1 (0.53) PDPK1CTSAPLA2G7LOXL2CYP2A6
SCHEMBL17194980 0.80 ADORA2A (0.42) PDPK1LOXL2CYP2A6CYP17A1RAB9A
SCHEMBL17198695 0.80 CTSA (0.47) PDPK1CTSAPLA2G7LOXL2CYP17A1
SCHEMBL1476093 0.80 ADORA2A (0.46) PDPK1LOXL2CYP2A6ADRA1AADRA1D
SCHEMBL1289875 0.79 PDPK1 (0.50) PDPK1PLA2G7LOXL2CYP2A6CYP17A1
SCHEMBL28052981 0.78 NISCH (0.48) PDPK1LOXL2CYP2A6ADRA1AADRA1D
SCHEMBL26259560 0.78 PDPK1 (0.54) PDPK1LOXL2CYP2A6RAB9AADRA1A
SCHEMBL5692672 0.78 PDPK1 (0.64) PDPK1LOXL2CYP2A6RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0027259-B1 SILVER HALIDE PHOTOGRAPHIC EMULSIONS INCLUDING DYE SENSITIZERS AND SUPERSENSITIZING OR STABILIZING AMOUNTS OF A POLYMERIC COMPOUND, AND PHOTOGRAPHIC ELEMENTS, PARTICULARLY RADIOGRAPHIC ELEMENTS, INCLUDING SAID EMULSIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-10-12 EP disclosed