SCHEMBL17023226

SCHEMBL17023226

O=C(CSc1ccccc1)Nc1cn(Cc2ccccc2)nc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ L3MBTL1 Q9Y468 5/20 0.48
▸ HTT P42858 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TP53 P04637 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TNF P01375 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43

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
SCHEMBL1870272 0.89 L3MBTL1 (0.56) KMT2AL3MBTL1ALDH1A1HSD17B10TP53
SCHEMBL1879107 0.82 KMT2A (0.49) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1875570 0.82 KMT2A (0.48) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL21225109 0.81 KMT2A (0.47) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL21224988 0.81 KMT2A (0.47) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL21225118 0.81 KMT2A (0.47) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL1882748 0.78 L3MBTL1 (0.54) L3MBTL1ALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL25761633 0.77 SCD (0.46) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1876346 0.73 KMT2A (0.47) LMNAMEN1KMT2AL3MBTL1MAPT
Potassium Ion SCHEMBL29446260 0.73 KMT2A (0.46) LMNAMEN1KMT2AL3MBTL1MAPT

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
EP-2059503-B1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2015-08-26 — — EP disclosed
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