SCHEMBL8895685

SCHEMBL8895685

COc1cc(C)c(Cl)cc1-c1csc(N)n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPT P10636 3/20 0.43
▸ NR4A1 P22736 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ SUV39H2 Q9H5I1 5/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HSP90AA1 P07900 2/20 0.40
▸ HSP90AB1 P08238 2/20 0.40
▸ PLAU P00749 1/20 0.40

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
SCHEMBL8894539 0.88 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7684369 0.86 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8893338 0.81 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1915457 0.78 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL12248758 0.76 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7228762 0.76 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL27566802 0.73 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8896650 0.73 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5327111 0.73 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1821573 0.73 CYP1A1 (0.75) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611766-A1 Polysubstituted 2-amido thiazoles derivatives, process for their preparation, pharmaceutical compositions and utilization for the preparation of a medicament SANOFI (FR) 1994-08-24 — — EP claimed
US-5656648-A TREATMENT OF PATHOLOGIES NECESSITATING STIMULATION OF CHOLECYSTOKININ-A RECEPTORS BY TOTAL OR PARTIAL AGONIST EFFECT SANOFI (FR) 1997-08-12 — — US disclosed
EP-0611766-A1 Polysubstituted 2-amido thiazoles derivatives, process for their preparation, pharmaceutical compositions and utilization for the preparation of a medicament SANOFI (FR) 1994-08-24 — — EP disclosed
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