SCHEMBL27566803

SCHEMBL27566803

COc1cc(CN)cc(OC)c1-c1csc(-n2c(C)ccc2C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ GAA P10253 3/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NR4A1 P22736 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ AR P10275 1/20 0.34
▸ NTSR1 P30989 1/20 0.34

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
SCHEMBL7688735 0.85 MAPT (0.41) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL27566801 0.78 ALDH1A1 (0.41) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7681878 0.73 ALDH1A1 (0.43) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL17386575 0.68 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8894861 0.65 MEN1 (0.54) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7386827 0.63 NSD2 (0.43) SMN1; SMN2ALDH1A1MAPK1KDM4ETSHR
SCHEMBL25256788 0.63 SMN1; SMN2 (0.44) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2379547 0.62 ALDH1A1 (0.56) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8896650 0.62 ALDH1A1 (0.63) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL17407190 0.61 RAB9A (0.45) MAPTSMN1; SMN2NPC1RAB9AMEN1

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
CN-1276790-A Carboxamidothiazole derivs., preparation, pharmaceutical composition contg. them SANOFI SA (FR) 2000-12-13 — — CN disclosed
Send feedback