SCHEMBL8714734

SCHEMBL8714734

O=C(O)c1ccsc1-n1nnnc1Sc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
EIF4E P06730 2/20 0.38
HSD17B10 Q99714 2/20 0.37
JAK2 O60674 1/20 0.37
TP53 P04637 1/20 0.37
TLR9 Q9NR96 1/20 0.37
SIRT5 Q9NXA8 1/20 0.36
ABL1 P00519 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL8048673 0.91 MEN1 (0.40) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8045965 0.91 MEN1 (0.43) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8050933 0.85 LMNA (0.40) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8715721 0.84 ALDH1A1 (0.41) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8044888 0.82 MEN1 (0.53) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8042914 0.81 LMNA (0.43) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL8042172 0.79 ALDH1A1 (0.38) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL8041897 0.79 ALDH1A1 (0.47) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8043692 0.78 HSD17B10 (0.36) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL8044748 0.78 TP53 (0.42) KMT2AMEN1LMNACYP1A2CYP3A4

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