SCHEMBL10279996

SCHEMBL10279996

CN(CCCOc1ccccc1C#N)c1nc(Cl)nc2c1CCC2c1ccc(F)cc1F

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PIN1 Q13526 1/20 0.31
GBA1 P04062 1/20 0.31
HTR1B P28222 1/20 0.30
USP2 O75604 1/20 0.30
MAPK1 P28482 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 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
SCHEMBL361578 0.91 PPARD (0.31) MAOBPPARDPPARA
SCHEMBL10356028 0.89 PPARD (0.31) PPARDPPARA
SCHEMBL362670 0.87 MAPT (0.31) PPARDPPARAKMT2APIN1
SCHEMBL10356249 0.85 MEN1 (0.36) MAOBPPARDPPARAMEN1KMT2A
SCHEMBL10279805 0.83 UGT1A1 (0.38) PPARDPPARA
SCHEMBL10279544 0.83 KDM4E (0.36) MAOBMEN1KMT2AKDM4E
SCHEMBL10356368 0.83 PPARD (0.32) PPARDPPARA
SCHEMBL10353221 0.80 PPARD (0.30) PPARDPPARA
SCHEMBL18023124 0.80
SCHEMBL362725 0.78 PSEN1 (0.36) MAOBPPARDPPARAGBA1

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-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 WO disclosed