SCHEMBL27404158

SCHEMBL27404158

COc1cc(CN)c(OC)c(OC)c1-c1csc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.51
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ LTA4H P09960 3/20 0.42
▸ MAPT P10636 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ GFER P55789 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 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
SCHEMBL8895221 0.81 HSD17B10 (0.55) HSD17B10MEN1KMT2AALDH1A1NPC1
SCHEMBL27566802 0.77 ALDH1A1 (0.56) HSD17B10MEN1KMT2AALDH1A1NPC1
SCHEMBL8894861 0.74 MEN1 (0.54) HSD17B10MEN1KMT2AALDH1A1NPC1
SCHEMBL8896650 0.74 ALDH1A1 (0.63) HSD17B10MEN1KMT2AALDH1A1NPC1
SCHEMBL2379547 0.74 ALDH1A1 (0.56) HSD17B10MEN1KMT2AALDH1A1NPC1
SCHEMBL7363044 0.71 ALDH1A1 (0.59) HSD17B10MEN1KMT2AALDH1A1NPC1
SCHEMBL16644714 0.71 MEN1 (0.50) HSD17B10MEN1KMT2AALDH1A1NPC1
SCHEMBL14993071 0.70 HSD17B10 (0.52) HSD17B10MEN1KMT2AALDH1A1NPC1
SCHEMBL8897844 0.70 MEN1 (0.49) HSD17B10MEN1KMT2AALDH1A1NPC1
SCHEMBL8896465 0.70 HSD17B10 (0.51) HSD17B10MEN1KMT2AALDH1A1NPC1

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-1107158-A Polysubstituted 2-amino-thiazole derivatives SANOFI ELF (FR) 1995-08-23 — — CN disclosed
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