SCHEMBL24258401

SCHEMBL24258401

C=CC(F)(F)c1ccc(CC)nc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
HPGD P15428 1/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MBOAT4 Q96T53 1/20 0.30
FAAH O00519 1/20 0.30
MAPK1 P28482 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
SCHEMBL256661 0.80 KMT2A (0.47) DAOHPGDNR1H2NR1H3KMT2A
SCHEMBL18752226 0.74 MBOAT4 (0.33) DAOHPGDNR1H2NR1H3KMT2A
SCHEMBL829871 0.74 TSHR (0.36)
SCHEMBL24258447 0.73 LSS (0.32) DAOKDM1AMAOAMAOB
SCHEMBL19851266 0.73 KMT2A (0.30) KMT2A
SCHEMBL19851267 0.73 KMT2A (0.30) KMT2A
SCHEMBL22624373 0.72 KIF11 (0.36) NR1H2NR1H3KMT2AMAPK1
SCHEMBL10285101 0.71 NPC1 (0.38) MAOBMAPK1
SCHEMBL3235456 0.71 PDE2A (0.35) DAOHPGDKMT2AKDM1AMAOA
SCHEMBL22184934 0.70 KIF11 (0.47) HPGDMAOB

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-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 EP disclosed