SCHEMBL27566802

SCHEMBL27566802

COc1cc(-c2csc(N)n2)c(OC)cc1CN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NOS1 P29475 3/20 0.44
▸ LTA4H P09960 3/20 0.44
▸ MAPT P10636 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ THRB P10828 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ TYR P14679 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 2/20 0.38

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
SCHEMBL8893338 0.84 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7684369 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL27566801 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL27404158 0.77 HSD17B10 (0.51) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7228762 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8894539 0.76 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8895685 0.73 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2761914 0.73 TAAR1 (0.56) MAPT
SCHEMBL5327111 0.73 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1821573 0.73 CYP1A1 (0.75) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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
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