SCHEMBL20779485

SCHEMBL20779485

CNSc1ccc(NC2CCCCC2)c(-c2n[nH]c(C)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.36
CDK1 P06493 2/20 0.35
CDK4 P11802 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNA2 P20248 2/20 0.35
CCND1 P24385 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
APAF1 O14727 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL20779762 0.80 OPRK1 (0.43)
SCHEMBL20767455 0.79 BRD4 (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL20779572 0.79 ALDH1A1 (0.37) CDK2ALDH1A1LMNAKDM4EMAPT
SCHEMBL1528439 0.78 ADRA1A (0.50) LRRK2LMNAKDM4EMAPTMEN1
SCHEMBL20779695 0.75 OPRK1 (0.46)
SCHEMBL20779692 0.75 LATS1 (0.43) CDK1CDK2ALDH1A1KDM4EMAPT
SCHEMBL20779774 0.74 ROCK2 (0.39) LRRK2MEN1KMT2AADORA2AADORA1
SCHEMBL20779889 0.74 OPRK1 (0.35) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL20779751 0.73 KDM4E (0.38) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL21925800 0.72 MAPT (0.51) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2

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-2019040380-A1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-02-28 WO disclosed