SCHEMBL22246397

SCHEMBL22246397

Bc1nc(N)c(C(C)=O)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 2/20 0.35
MAOA P21397 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
IKBKB O14920 2/20 0.32
PDGFRA P16234 1/20 0.31
CDK5 Q00535 1/20 0.31
TYRO3 Q06418 1/20 0.31
SLC9A1 P19634 1/20 0.30
MAP3K14 Q99558 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
SCHEMBL20657839 0.80 MAOB (0.39) SMN1; SMN2MAOBMAOAHSD17B10KDM4E
SCHEMBL22246399 0.75 ALDH1A1 (0.42) SMN1; SMN2KDM4EALDH1A1GAAHPGD
SCHEMBL20657821 0.74 CLK4 (0.44) SMN1; SMN2KDM4EALDH1A1GAACDK5
SCHEMBL19972183 0.73 MAOB (0.39) SMN1; SMN2MAOBMAOAKDM4EALDH1A1
SCHEMBL20657823 0.73 ADORA2B (0.40) IKBKB
Bromide SCHEMBL21485332 0.71 MAOB (0.38) SMN1; SMN2MAOBMAOAKDM4EALDH1A1
SCHEMBL22246384 0.69 KMT2A (0.34) ALDH1A1GAA
SCHEMBL14967159 0.68 KDM4E (0.41) HSD17B10KDM4EALDH1A1GLAGAA
SCHEMBL11992010 0.68 HTT (0.50) SMN1; SMN2MAOAHSD17B10KDM4EALDH1A1
SCHEMBL23689684 0.67 KDM4E (0.42) HSD17B10KDM4EALDH1A1GLAHPGD

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-2020150676-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-07-23 WO disclosed