SCHEMBL8043144

SCHEMBL8043144

Clc1cnc(Sc2nnc(-c3cccs3)n2-c2ccc(Br)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.50
HSD17B10 Q99714 7/20 0.47
KDM4E B2RXH2 7/20 0.47
NPSR1 Q6W5P4 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.39
HPGD P15428 3/20 0.39
PPARG P37231 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CYP2C9 P11712 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 2/20 0.38

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
SCHEMBL8033943 0.90 TSHR (0.61) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8048248 0.87 NPSR1 (0.51) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8033911 0.87 TSHR (0.48) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8043564 0.87 TSHR (0.48) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8042736 0.86 TSHR (0.52) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8050287 0.86 HSD17B10 (0.53) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8046532 0.85 TSHR (0.48) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8042619 0.84 TSHR (0.57) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8050851 0.84 TSHR (0.49) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8043091 0.83 TSHR (0.46) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2

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