SCHEMBL8557539

SCHEMBL8557539

CC(=O)OCCc1sc(NC(=O)c2cc3ccccc3[nH]2)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ EGFR P00533 2/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSPA8 P11142 1/20 0.43
▸ HSPA2 P54652 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PLCG2 P16885 1/20 0.43
▸ TAS1R3 Q7RTX0 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
SCHEMBL8561965 0.89 NPC1 (0.52) TRPV4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8559376 0.79 RAB9A (0.54) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8555910 0.79 TRPV4 (0.47) TRPV4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8556757 0.79 MEN1 (0.66) SMN1; SMN2LMNAMAPTALDH1A1KMT2A
SCHEMBL8562358 0.78 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL8557533 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8557413 0.78 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL8558581 0.77 KMT2A (0.49) TRPV4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8560930 0.73 KMT2A (0.41) TRPV4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8561960 0.72 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518731-B1 2-(Indol-2-yl-carbonylamino)-thiazole derivatives, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-08-26 — — EP disclosed
US-5380736-A Cholecystokinin and gastric antagonist ELF SANOFI (FR) 1995-01-10 — — US disclosed
US-5314889-A Hormone antagonists ELF SANOFI (FR) 1994-05-24 — — US disclosed
EP-0518731-A1 Heterocyclic derivatives of substituted 2-acylamino 5-thiazole, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-12-16 — — EP disclosed
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