SCHEMBL22280469

SCHEMBL22280469

CC(CN(C)C)/C(=N\O)c1ccc(Nc2cc(Br)ccc2Br)nc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
PPARG P37231 1/20 0.30
KMT2A Q03164 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL22265485 0.75 F10 (0.35) MEN1MAPTHPGDKMT2AKDM4E
SCHEMBL22265486 0.75 F10 (0.35) MEN1MAPTHPGDKMT2AKDM4E
SCHEMBL22280472 0.72 HDAC1 (0.37) MEN1MAPTALOX15KMT2AKDM4E
SCHEMBL22280456 0.63 IGF1R (0.33)
SCHEMBL22265325 0.62 HTT (0.38) MEN1ALOX15KMT2ALMNA
SCHEMBL14696572 0.57 TYK2 (0.43) CDK2HPGDKMT2A
SCHEMBL3849741 0.55 SORT1 (0.45) MEN1TP53MAPTHPGDALOX15
SCHEMBL11322821 0.54 HTT (0.43) MEN1MAPTKMT2ALMNA
SCHEMBL11322817 0.54 HTT (0.43) MEN1MAPTKMT2ALMNA
SCHEMBL14696131 0.54 HCAR3 (0.47)

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-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed