SCHEMBL8043654

SCHEMBL8043654

O=C(Nc1cnc(Sc2nnc(-c3cccs3)n2-c2ccccc2)s1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.52
HSD17B10 Q99714 7/20 0.52
KDM4E B2RXH2 4/20 0.52
NPSR1 Q6W5P4 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PPARG P37231 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
NR2E3 Q9Y5X4 2/20 0.52
NCOR2 Q9Y618 2/20 0.52
HTT P42858 2/20 0.52
RECQL P46063 1/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
MAPK1 P28482 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL8032459 0.95 HSD17B10 (0.49) TSHRHSD17B10KDM4ENPSR1MEN1
SCHEMBL8045038 0.94 TSHR (0.47) TSHRHSD17B10KDM4ENPSR1MEN1
SCHEMBL8046929 0.93 TSHR (0.52) TSHRHSD17B10KDM4ENPSR1MEN1
SCHEMBL8043244 0.92 NPSR1 (0.46) TSHRHSD17B10KDM4ENPSR1MEN1
SCHEMBL8046996 0.92 TSHR (0.45) TSHRHSD17B10KDM4ENPSR1MEN1
SCHEMBL8045759 0.92 RECQL (0.47) TSHRHSD17B10KDM4ENPSR1MEN1
SCHEMBL8038005 0.92 NPSR1 (0.56) TSHRHSD17B10KDM4ENPSR1MEN1
SCHEMBL8033434 0.91 TSHR (0.46) TSHRHSD17B10KDM4ENPSR1MEN1
SCHEMBL8051531 0.88 ALDH1A1 (0.45) TSHRHSD17B10KDM4ENPSR1MEN1
SCHEMBL8044457 0.88 HDAC6 (0.57) TSHRHSD17B10KDM4ENPSR1MEN1

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