SCHEMBL23401183

SCHEMBL23401183

CCc1c(O)c(-c2ccccc2)nn1-c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.47
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 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
SCHEMBL23403223 0.90 PTGS2 (0.46) RPA1CCNA2CDK2L3MBTL1PTGS1
SCHEMBL23401977 0.88 TP53 (0.47) PTGS1PTGS2HTTTP53HPGD
SCHEMBL23402931 0.88 RPA1 (0.44) RPA1CCNA2CDK2L3MBTL1PTGS1
SCHEMBL23398985 0.87 MEN1 (0.48) CCNA2CDK2L3MBTL1PTGS1PTGS2
SCHEMBL23402556 0.86 RPA1 (0.44) RPA1CCNA2CDK2L3MBTL1PTGS1
SCHEMBL23402489 0.85 MEN1 (0.43) CCNA2CDK2RAB9AKDM4ESMN1; SMN2
SCHEMBL23398421 0.82 L3MBTL1 (0.54) RPA1CCNA2CDK2L3MBTL1PTGS1
SCHEMBL23400566 0.82 RPA1 (0.50) RPA1CCNA2CDK2L3MBTL1PTGS1
SCHEMBL23403399 0.82 RPA1 (0.47) RPA1L3MBTL1RAB9ASMN1; SMN2HTT
SCHEMBL23400039 0.79 PDE4D (0.43) RPA1L3MBTL1PTGS1PTGS2SMN1; SMN2

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