SCHEMBL8710522

SCHEMBL8710522

COc1ccccc1-c1nnc(Sc2ncc(S(C)(=O)=O)s2)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CNR2 P34972 1/20 0.44
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39
GFER P55789 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL8044593 0.83 ALPG (0.42) TSHRCYP3A4KMT2AALDH1A1HTT
SCHEMBL8712945 0.83 TP53 (0.51) TP53TSHRCYP3A4CYP2C19CNR2
SCHEMBL8044406 0.82 ATM (0.44) TSHRKMT2AALDH1A1HTTNPC1
SCHEMBL8046022 0.81 TP53 (0.45) TP53TSHRCYP3A4CYP2C19CNR2
SCHEMBL8042389 0.81 TSHR (0.57) TSHRCYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL8044387 0.80 TSHR (0.37) TSHRKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8044722 0.78 RPA1 (0.45) TSHRKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL8045179 0.78 TSHR (0.33) TP53TSHRKMT2AALDH1A1MAPK1
SCHEMBL8046377 0.78 ALDH1A1 (0.47) TSHRCYP3A4CYP2C19ALDH1A1HTT
SCHEMBL8051559 0.78 KDM4E (0.45) TP53TSHRCYP3A4CYP2C19CNR2

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