SCHEMBL31445255

SCHEMBL31445255

Cn1cc(Cl)c(CC#N)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 1/20 0.33
PIM1 P11309 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL4206430 0.78 HTT (0.37) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL16039441 0.75
SCHEMBL12294404 0.75
SCHEMBL24777114 0.74 KDM4E (0.35) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL859913 0.74
SCHEMBL2869007 0.74
SCHEMBL13066748 0.74
SCHEMBL859093 0.74
SCHEMBL3735745 0.73 KDM4E (0.34) MAPTHTTKDM4EALDH1A1CYP1A2
SCHEMBL12414775 0.71 CYP1A2 (0.41) SMN1; SMN2MEN1KMT2AKDM4ENPC1

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
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed