SCHEMBL12177280

SCHEMBL12177280

CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)cc2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.66
▸ CASP3 P42574 1/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ SENP8 Q96LD8 1/20 0.66
▸ SENP7 Q9BQF6 1/20 0.66
▸ SENP6 Q9GZR1 1/20 0.66
▸ POLB P06746 2/20 0.58
▸ PKM P14618 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ AKR1B1 P15121 1/20 0.52
▸ DUSP22 Q9NRW4 4/20 0.50
▸ NLRP3 Q96P20 1/20 0.47

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
SCHEMBL12177278 0.87 NPC1 (0.57) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL12177689 0.85 AKR1B1 (0.60) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL12177369 0.84 LMNA (0.62) POLBTDP1L3MBTL1
SCHEMBL12177341 0.81 AKR1B1 (0.58) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL12177382 0.80 POLB (0.66) NPC1RAB9APOLBPKMAPEX1
SCHEMBL12177730 0.78 KDM4E (0.50) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL6184899 0.78 PIK3CG (0.67) RAB9APOLBTDP1AKR1B1
SCHEMBL6184897 0.78 PIK3CG (0.67) RAB9APOLBTDP1AKR1B1
SCHEMBL12177140 0.76 CYP1A2 (0.53) NPC1TDP1AKR1B1
SCHEMBL7464201 0.76 CISD1 (0.71) NPC1CASP3RAB9ASENP8SENP7

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
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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