SCHEMBL23400223

SCHEMBL23400223

CCn1[nH]c(-c2ccc(C)cc2)cc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
HPGD P15428 6/20 0.48
RAB9A P51151 5/20 0.48
HSD17B10 Q99714 4/20 0.48
NPC1 O15118 4/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 6/20 0.46
HTT P42858 2/20 0.46
THRB P10828 1/20 0.46
CASP1 P29466 1/20 0.44
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
ESR2 Q92731 1/20 0.42
RAD51 Q06609 2/20 0.40
ADORA2A P29274 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
SCHEMBL23403235 0.87 MEN1 (0.61) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23401624 0.84 MEN1 (0.71) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23403018 0.84 MEN1 (0.76) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23399596 0.82 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23398371 0.82 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23402953 0.77 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23398682 0.74 MAPT (0.55) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23399375 0.73 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23403053 0.72 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23401955 0.72 HPGD (0.42) MEN1KMT2AKDM4EALDH1A1SMN1; 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