SCHEMBL23398989

SCHEMBL23398989

Cc1cccc(-n2ncc(O)c2C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
PAX8 Q06710 1/20 0.47
KMT2A Q03164 2/20 0.46
RIPK2 O43353 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 2/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
PRKCZ Q05513 1/20 0.40
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL23398391 0.82 SMN1; SMN2 (0.47) NPC1RAB9APAX8RIPK2KDM4E
SCHEMBL23400333 0.81 RAB9A (0.41) NPC1RAB9AKMT2AHTTNPSR1
SCHEMBL23399056 0.81 NPC1 (0.51) NPC1RAB9APAX8KMT2AKDM4E
SCHEMBL23402752 0.79 NPC1 (0.50) NPC1RAB9APAX8KMT2ARIPK2
SCHEMBL23398512 0.76 RIPK2 (0.47) NPC1RAB9APAX8KMT2ARIPK2
SCHEMBL23399389 0.76 ALDH1A1 (0.51) NPC1RAB9APAX8KMT2AKDM4E
SCHEMBL23400885 0.76 ALDH1A1 (0.49) NPC1RAB9APAX8RIPK2ALDH1A1
SCHEMBL23401245 0.76 NPC1 (0.47) NPC1RAB9APAX8KMT2AKDM4E
SCHEMBL23402637 0.76 NPC1 (0.47) NPC1RAB9APAX8KMT2AKDM4E
SCHEMBL23750115 0.74 NPC1 (0.51) NPC1RAB9APAX8KMT2AKDM4E

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed