SCHEMBL5452677

SCHEMBL5452677

CC1C(NC(=S)NC(=O)c2ccccc2)C(=O)N(c2ccccc2)N1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ EPHX1 P07099 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL13415787 0.68 LMNA (0.45) RAB9AALDH1A1GAAKDM4EKMT2A
SCHEMBL5459533 0.66 KMT2A (0.80) ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL2680169 0.66 ALDH1A1 (0.66) NPC1RAB9AEPHX1ALDH1A1GAA
Ethylene SCHEMBL28911980 0.65 EPHX1 (0.69) NPC1RAB9AEPHX1ALDH1A1GAA
SCHEMBL9616703 0.65 LOX (0.41) RAB9AALDH1A1GAAKMT2AMAPK1
SCHEMBL5161443 0.65 NPC1 (0.87) NPC1RAB9AEPHX1ALDH1A1GAA
SCHEMBL2784650 0.63 LMNA (0.40) RAB9AALDH1A1GAAKMT2AMAPK1
SCHEMBL9616973 0.63 LOX (0.39) RAB9AALDH1A1GAAKDM4EKMT2A
SCHEMBL16587379 0.63 NPC1 (0.77) NPC1RAB9AEPHX1ALDH1A1GAA
SCHEMBL8217266 0.62 LOX (0.36) RAB9AALDH1A1GAAMAPK1MAPT

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
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 — — US disclosed
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