SCHEMBL8033751

SCHEMBL8033751

Cn1nnnc1Sc1ncc(C(=O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HCAR2 Q8TDS4 1/20 0.41
USP7 Q93009 1/20 0.38
HTT P42858 6/20 0.38
PIP4K2C Q8TBX8 4/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8042788 0.83 HSD17B10 (0.42) RXRARXRBRXRGALDH1A1HCAR2
SCHEMBL8042980 0.83 ALDH1A1 (0.41) RXRARXRBRXRGALDH1A1HCAR2
SCHEMBL8044808 0.83 RXRA (0.40) RXRARXRBRXRGALDH1A1HCAR2
SCHEMBL8050732 0.83 RXRA (0.43) RXRARXRBRXRGALDH1A1HCAR2
SCHEMBL8033764 0.81 HTT (0.46) RXRARXRBRXRGALDH1A1HCAR2
SCHEMBL8041806 0.80 KMT2A (0.38) RXRARXRBRXRGALDH1A1HCAR2
SCHEMBL8044465 0.79 ALDH1A1 (0.51) ALDH1A1HTTSMN1; SMN2MEN1LMNA
SCHEMBL8043875 0.79 UBE2M (0.37) RXRARXRBRXRGALDH1A1HCAR2
SCHEMBL8716288 0.79 CYP2C19 (0.47) RXRARXRBRXRGALDH1A1HCAR2
SCHEMBL8042066 0.78 RXRA (0.39) RXRARXRBRXRGALDH1A1HCAR2

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