SCHEMBL20779751

SCHEMBL20779751

CNSc1ccc(NC2CCCCC2)c(-c2cccc(N)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NUDT1 P36639 1/20 0.37
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
NOS2 P35228 3/20 0.37
GPR39 O43194 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALOX15 P16050 2/20 0.34
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
IDH1 O75874 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33

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
SCHEMBL20779631 0.86 GPR39 (0.42) KDM4ENUDT1GPR39ADORA2AADORA1
SCHEMBL20779638 0.85 GPR39 (0.37) KDM4EGAAMAPTNUDT1GPR39
SCHEMBL20779785 0.81 GPR39 (0.49) KDM4EGAAMAPTGPR39IDO1
SCHEMBL30411424 0.79 ALOX15 (0.41) KDM4EGAAMAPTALOX15PIM1
SCHEMBL20766349 0.79 ALOX15 (0.41) KDM4EGAAMAPTALOX15PIM1
SCHEMBL21925800 0.78 MAPT (0.51) KDM4EGAAMAPTNUDT1ALOX15
SCHEMBL20779779 0.77 IRAK1 (0.40) MAPTADORA2AADORA1LMNA
SCHEMBL20779742 0.76 FLT3 (0.34) KDM4EMAPTGPR39ADORA2AADORA1
SCHEMBL20779692 0.75 LATS1 (0.43) KDM4EGAAMAPTADORA2AADORA1
SCHEMBL20779876 0.74 ALDH1A1 (0.32) KDM4EMAPTGPR39ADORA2AADORA1

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