SCHEMBL8716255

SCHEMBL8716255

COc1ccccc1-c1nnc(Sc2nc(C(C)(C)C)c(Br)s2)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
TSHR P16473 5/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CNR2 P34972 1/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 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
RXFP1 Q9HBX9 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 3/20 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
SCHEMBL8042393 0.83 ALPG (0.40) TP53CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL8043099 0.81 TSHR (0.57) TSHRCYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL8043571 0.81 ATM (0.43) TSHRKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL8046642 0.81 ALDH1A1 (0.36) TP53TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL8033699 0.79 KMT2A (0.55) TP53TSHRCYP3A4CYP2C19CNR2
SCHEMBL8042649 0.79 ALDH1A1 (0.36) TSHRCYP2C19KMT2AALDH1A1SMN1; SMN2
SCHEMBL8044131 0.79 RPA1 (0.44) TSHRKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL8043752 0.78 KDM4E (0.48) TSHRCYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL8041927 0.77 TP53 (0.47) TP53TSHRCYP3A4CYP2C19CNR2
SCHEMBL8050259 0.77 NPSR1 (0.48) TSHRCYP3A4CYP2C19KMT2AALDH1A1

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