SCHEMBL5452558

SCHEMBL5452558

Cc1ccoc1C(=O)NC(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.56
ALDH1A1 P00352 8/20 0.55
NPSR1 Q6W5P4 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 4/20 0.53
ALOX12 P18054 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 3/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 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
SCHEMBL5453556 0.89 SMN1; SMN2 (0.52) ALDH1A1NPSR1NPC1RAB9AMAPT
SCHEMBL5449907 0.86 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMAPTALOX12
SCHEMBL5447964 0.86 GRM1 (0.51) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5452802 0.84 ALDH1A1 (0.52) ALDH1A1NPSR1NPC1RAB9AMAPT
SCHEMBL5456707 0.83 MEN1 (0.51) ALDH1A1NPSR1NPC1RAB9AMAPT
SCHEMBL5446625 0.81 SMN1; SMN2 (0.60) EPHX1ALDH1A1NPSR1NPC1RAB9A
SCHEMBL5448328 0.75 RAB9A (0.73) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5448199 0.75 ALDH1A1 (0.59) EPHX1ALDH1A1NPSR1NPC1RAB9A
SCHEMBL5456442 0.74 SMN1; SMN2 (0.58) ALDH1A1NPSR1MAPTALOX12SMN1; SMN2
SCHEMBL5445578 0.74 ALDH1A1 (0.58) EPHX1ALDH1A1NPSR1NPC1RAB9A

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