SCHEMBL11043371

SCHEMBL11043371

S=C1NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)S1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
GAA P10253 1/20 0.35
HTR3A P46098 1/20 0.34
ALDH1A1 P00352 5/20 0.34
MECP2 P51608 1/20 0.33
MBD2 Q9UBB5 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
MAPK1 P28482 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL10618890 0.80 ALDH1A1 (0.40) KMT2AMEN1GAAHTR3AALDH1A1
SCHEMBL10618877 0.80 ALDH1A1 (0.40) KMT2AMEN1GAAHTR3AALDH1A1
SCHEMBL11125609 0.80 ALDH1A1 (0.40) KMT2AMEN1GAAALDH1A1MECP2
SCHEMBL11038980 0.77 ALDH1A1 (0.46) KMT2AMEN1GAAALDH1A1CYP2C9
SCHEMBL3256203 0.71 HTR3A (0.41) KMT2AMEN1GAAHTR3AALDH1A1
SCHEMBL3256205 0.71 HTR3A (0.41) KMT2AMEN1GAAHTR3AALDH1A1
SCHEMBL11039018 0.67 CYP2D6 (0.40) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL10783623 0.65 MEN1 (0.52) KMT2AMEN1HTR3AALDH1A1TP53
SCHEMBL13567612 0.63 ALDH1A1 (0.44) KMT2AMEN1HTR3AALDH1A1TP53
SCHEMBL10619002 0.63 ALDH1A1 (0.49) KMT2AMEN1GAAHTR3AALDH1A1

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-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed