SCHEMBL20867390

SCHEMBL20867390

CCSc1cc(F)cnc1C#N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP8 P40818 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
AOC3 Q16853 1/20 0.32
AR P10275 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
CLK1 P49759 1/20 0.31
PKM P14618 1/20 0.31
GRM5 P41594 1/20 0.31
SQOR Q9Y6N5 1/20 0.30
GAA P10253 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
SCHEMBL20867084 0.81 SMN1; SMN2 (0.40) MAPK1ALDH1A1MEN1KMT2AUSP8
SCHEMBL17514093 0.80 MAPK1 (0.36) MAPK1ALDH1A1MEN1KMT2AUSP8
SCHEMBL23642509 0.80 MAPK1 (0.36) MAPK1ALDH1A1MEN1KMT2AUSP8
SCHEMBL31267262 0.80 MAPK1 (0.36) MAPK1ALDH1A1MEN1KMT2AUSP8
SCHEMBL15847166 0.80 ALDH1A1 (0.56) MAPK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31267246 0.78 MAPK1 (0.34) MAPK1ALDH1A1MEN1KMT2AUSP8
SCHEMBL20848148 0.75 ALDH1A1 (0.36) MAPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL32678469 0.75 ALDH1A1 (0.36) MAPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL32678467 0.75 ALDH1A1 (0.36) MAPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL32678465 0.75 ALDH1A1 (0.36) MAPK1ALDH1A1MEN1KMT2AKDM4E

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-2019065568-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING AGENT CONTAINING SAME 住友化学株式会社 2019-04-04 WO disclosed