SCHEMBL10914337

SCHEMBL10914337

Cc1nc(SCc2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ HPGD P15428 2/20 0.53
▸ POLB P06746 3/20 0.52
▸ CTSB P07858 2/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ GRK6 P43250 1/20 0.44
▸ VCP P55072 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ CFTR P13569 1/20 0.43
▸ PKM P14618 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
SCHEMBL10724090 0.90 MAPT (0.49) MAPTHPGDPOLBCTSBMEN1
SCHEMBL10915430 0.86 ALDH1A1 (0.46) MAPTMEN1KMT2AGRK6ALDH1A1
SCHEMBL10377541 0.81 NPC1 (0.50) MAPTPOLBMEN1KMT2AL3MBTL1
SCHEMBL10377358 0.81 NPC1 (0.50) MAPTPOLBMEN1KMT2AL3MBTL1
SCHEMBL4491339 0.77 ALDH1A1 (0.56) MAPTHPGDPOLBMEN1KMT2A
SCHEMBL10914093 0.77 ALDH1A1 (0.46) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL6960011 0.76 ALDH1A1 (0.54) MAPTMEN1KMT2AGRK6ALDH1A1
SCHEMBL6960006 0.76 ALDH1A1 (0.54) MAPTMEN1KMT2AGRK6ALDH1A1
SCHEMBL10375543 0.75 NPC1 (0.52) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL10377412 0.74 ALDH1A1 (0.46) MAPTHPGDMEN1KMT2ALMNA

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-0202654-A2 5-Carboxy-1,4-dihydropyrimidine derivatives E.R. Squibb & Sons, Inc. (US) 1986-11-26 — — EP disclosed
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