SCHEMBL21033944

SCHEMBL21033944

C=CN/C=C\C(=C/C)c1ccc2nc(C(=C)CCC)cn2n1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.31
RAB9A P51151 4/20 0.31
NPC1 O15118 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21033570 0.65 FYN (0.42) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL21033137 0.60 EGLN1 (0.34) KDM4ERAB9ANPC1
SCHEMBL20402695 0.59 RAB9A (0.34) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL18929122 0.57
SCHEMBL31035823 0.56 KDM4E (0.60) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL21033571 0.55 METTL3 (0.37) KDM4ERAB9AKMT2AL3MBTL1
SCHEMBL20402697 0.55 AHR (0.31)
SCHEMBL23529941 0.53 KDM4E (0.46) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL21033473 0.53 KDM4E (0.67) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL22296023 0.52 HTT (0.37) KDM4ERAB9ANPC1KMT2A

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-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 WO disclosed