SCHEMBL8044684

SCHEMBL8044684

CCCc1nnc(Sc2ncc(C(=O)O)s2)s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
MAPK8 P45983 3/20 0.38
MAPK9 P45984 3/20 0.38
ALDH1A1 P00352 3/20 0.37
USP7 Q93009 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 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
SCHEMBL8046385 0.93 RXRA (0.41) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8050209 0.89 RXRA (0.43) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8044736 0.88 RXRA (0.40) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8043212 0.86 RXRA (0.39) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8051764 0.85 RXRA (0.41) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8044854 0.84 RXRA (0.39) RXRARXRBRXRGHCAR2ALDH1A1
SCHEMBL8042939 0.83 RXRA (0.41) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8032493 0.83 RAB9A (0.44) ALDH1A1RAB9AKDM4EKMT2APOLB
SCHEMBL8044327 0.83 RXRA (0.41) RXRARXRBRXRGHCAR2MAPK8
SCHEMBL8044449 0.81 SMN1; SMN2 (0.43) RXRARXRBRXRGHCAR2ALDH1A1

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed