SCHEMBL3454603

SCHEMBL3454603

Cc1nc(C#Cc2ccc(O)cc2)sc1C(=O)NCCOc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 2/20 0.46
CNR1 P21554 1/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
POLB P06746 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL3454764 0.90 SCD (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL3447843 0.89 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HPGDCNR1
SCHEMBL3454120 0.85 MAPT (0.47) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL3454883 0.83 NPC1 (0.48) RAB9ANPC1SMN1; SMN2HPGDCNR1
SCHEMBL3454348 0.83 SCD (0.55)
SCHEMBL3454066 0.81 PPARA (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL3454100 0.79 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HPGDCNR1
SCHEMBL3455026 0.78 PPARA (0.55) SMN1; SMN2HPGDKMT2AMAPTRXFP1
SCHEMBL3447237 0.77 SCD (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3446953 0.77 CHRM4 (0.50) RAB9ANPC1SMN1; SMN2HPGDCNR1

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-2010007482-A2 THIAZOLE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-01-21 WO disclosed