SCHEMBL2402489

SCHEMBL2402489

O=C(NCCc1ccccc1)c1ccnc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.65
MAPT P10636 4/20 0.60
RAB9A P51151 5/20 0.60
FAP Q12884 1/20 0.59
TP53 P04637 1/20 0.56
NPC1 O15118 3/20 0.54
EGLN1 Q9GZT9 1/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.52
KDM5A P29375 1/20 0.52
KDM5C P41229 1/20 0.52
KDM5B Q9UGL1 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL30135587 0.81 NSD2 (0.62) NSD2FAPKDM5B
SCHEMBL15129718 0.81 NSD2 (0.62) NSD2FAPKDM5B
SCHEMBL10243020 0.81 HTT (0.60) NSD2FAPTP53GAAKDM4E
SCHEMBL15661203 0.80 PSMD14 (0.60) NSD2MAPTRAB9ANPC1EGLN1
SCHEMBL12903049 0.80 NSD2 (0.59) NSD2FAP
SCHEMBL5016070 0.80 NSD2 (0.53) NSD2FAPKMT2A
SCHEMBL13406169 0.79 HTT (0.60) MAPTGAAKDM4EPOLB
SCHEMBL14075095 0.77 NSD2 (0.51) NSD2FAPKMT2A
SCHEMBL9001093 0.77 KDM4E (0.61) NSD2MAPTRAB9ATP53NPC1
SCHEMBL5603305 0.77 NSD2 (0.56) NSD2FAPGAAKDM4E

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-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed