SCHEMBL29933906

SCHEMBL29933906

CC1(Nc2ncc(C(N)=O)s2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.43
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK14 Q16539 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
NPC1 O15118 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK13 O15264 1/20 0.35

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
SCHEMBL29933952 0.94 FFAR2 (0.42) FFAR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL19710761 0.76 MAPK14 (0.57) FFAR2MAPK14SMN1; SMN2RAB9AKDM4E
SCHEMBL3129613 0.74 RAB9A (0.58) FFAR2MAPK14SMN1; SMN2RAB9ALMNA
SCHEMBL30801502 0.71 HDAC1 (0.64) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4557739 0.70 MAPK14 (0.50) FFAR2MAPK14SMN1; SMN2RAB9AKDM4E
SCHEMBL14887666 0.68 FFAR2 (0.46) FFAR2MAPK14SMN1; SMN2RAB9AKDM4E
SCHEMBL30801504 0.68 HDAC1 (0.68) HDAC3HDAC1HDAC2HDAC6
SCHEMBL27829685 0.68 MAPK14 (0.44) FFAR2MAPK14SMN1; SMN2RAB9ANPC1
SCHEMBL28790897 0.68 MAPK14 (0.44) FFAR2MAPK14SMN1; SMN2RAB9ANPC1
SCHEMBL27829609 0.67 RPS6KB1 (0.46) FFAR2MAPK14SMN1; SMN2MAPKAPK2LCK

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
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed