SCHEMBL8044808

SCHEMBL8044808

CC(C)n1nnnc1Sc1ncc(C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 2/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 8/20 0.38
NPC1 O15118 4/20 0.38
GAA P10253 4/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
CASP1 P29466 1/20 0.38
USP7 Q93009 1/20 0.36
USP2 O75604 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
SCHEMBL8033751 0.83 RXRA (0.43) RXRARXRBRXRGHCAR2MEN1
SCHEMBL8050732 0.80 RXRA (0.43) RXRARXRBRXRGHCAR2ALDH1A1
SCHEMBL8042980 0.80 ALDH1A1 (0.41) RXRARXRBRXRGHCAR2CYP2C19
SCHEMBL8042151 0.79 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19CYP2D6MEN1
SCHEMBL8042788 0.78 HSD17B10 (0.42) RXRARXRBRXRGHCAR2CYP2C19
SCHEMBL8041806 0.77 KMT2A (0.38) RXRARXRBRXRGHCAR2MEN1
SCHEMBL8048331 0.77 ALDH1A1 (0.33) CYP1A2CYP2C9CYP2C19CYP2D6MEN1
SCHEMBL8045818 0.77 HPGD (0.51) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL8046081 0.76 ALDH1A1 (0.46) RXRARXRBRXRGMEN1KMT2A
SCHEMBL8046585 0.76 RXRA (0.43) RXRARXRBRXRGHCAR2MEN1

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