SCHEMBL8043392

SCHEMBL8043392

CC(C)(C)c1nc(Sc2nnc(-c3cccs3)n2-c2ccc(Br)cc2)sc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
HSD17B10 Q99714 6/20 0.47
KDM4E B2RXH2 6/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 2/20 0.39
PTGS2 P35354 1/20 0.39
PPARG P37231 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
APLNR P35414 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37

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
SCHEMBL8042335 0.93 TSHR (0.47) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8043099 0.93 TSHR (0.57) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8033968 0.91 TSHR (0.44) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8050259 0.91 NPSR1 (0.48) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8042795 0.89 TSHR (0.47) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8043009 0.89 HSD17B10 (0.48) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8042898 0.88 PTGS2 (0.43) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8047148 0.87 TSHR (0.49) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8048578 0.86 TSHR (0.49) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8044857 0.84 KDM4E (0.53) TSHRHSD17B10KDM4EMEN1KMT2A

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