SCHEMBL8049983

SCHEMBL8049983

CCCn1nnc(Sc2ncc(C(=O)O)s2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 7/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 1/20 0.34
USP7 Q93009 1/20 0.34
ALDH1A1 P00352 6/20 0.34
NPSR1 Q6W5P4 2/20 0.34
F2 P00734 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL8044846 0.93 RAB9A (0.42) RXRARXRBRXRGHCAR2SMN1; SMN2
SCHEMBL8045389 0.90 RXRA (0.40) RXRARXRBRXRGHCAR2SMN1; SMN2
SCHEMBL8046142 0.85 RXRA (0.38) RXRARXRBRXRGHCAR2RECQL
SCHEMBL8043417 0.84 HDAC6 (0.36) RXRARXRBRXRGCYP1A2CYP2C9
SCHEMBL8043447 0.83 RXRA (0.43) RXRARXRBRXRGHCAR2USP7
SCHEMBL8033057 0.81 RAB9A (0.44) RXRARXRBRXRGSMN1; SMN2RAB9A
SCHEMBL8042849 0.80 ALDH1A1 (0.33) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL8034002 0.78 LOXL2 (0.32) RECQL
SCHEMBL8043545 0.78 RXRA (0.40) RXRARXRBRXRGHCAR2USP7
SCHEMBL8050237 0.78 RXRA (0.40) RXRARXRBRXRGHCAR2USP7

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