SCHEMBL8034281

SCHEMBL8034281

CN(C)CCCn1c(Sc2nc3ccc(C(=O)O)cc3s2)nnc1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 4/20 0.40
CYP3A4 P08684 3/20 0.40
NPC1 O15118 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HCRTR1 O43613 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
ALPG P10696 1/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RCE1 Q9Y256 2/20 0.39

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
SCHEMBL8041892 0.88 MEN1 (0.49) KMT2AMEN1MAPTRAB9ACYP3A4
SCHEMBL8033172 0.86 MAPT (0.38) KMT2AMEN1MAPTRAB9ACYP3A4
SCHEMBL8048043 0.85 CPB1 (0.43) KMT2AMEN1MAPTRAB9ACYP3A4
SCHEMBL8044738 0.85 CSNK1D (0.39) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL8043400 0.85 ALDH1A1 (0.53) KMT2AMEN1MAPTRAB9ACYP3A4
SCHEMBL8042533 0.85 HDAC6 (0.53) KMT2AMAPTRAB9ACYP3A4NPC1
SCHEMBL8043389 0.84 PDK1 (0.44) KMT2AMEN1MAPTRAB9ACYP3A4
SCHEMBL8034389 0.80 RECQL (0.46) KMT2AMEN1MAPTRAB9ACYP3A4
SCHEMBL8050857 0.80 HSD17B10 (0.48) KMT2AMEN1MAPTCYP3A4CYP1A2
SCHEMBL8042984 0.80 TSHR (0.50) KMT2AMEN1MAPTCYP3A4CYP1A2

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed