SCHEMBL11064014

SCHEMBL11064014

N#[N+]c1ccc(Nc2ccc(Cc3ccc(Nc4ccc([N+]#N)cn4)cc3)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.36
HCAR3 P49019 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALOX12 P18054 1/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GRM5 P41594 1/20 0.33
LMNA P02545 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
SCHEMBL11061272 0.82 GRM5 (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11064116 0.81 HCAR3 (0.51) HCAR3MEN1KMT2AALOX12MAPT
SCHEMBL11061826 0.78 NPC1 (0.55) ADRA2AMEN1KMT2AMAPTNPC1
SCHEMBL11062971 0.73 HCAR3 (0.44) HCAR3MAPT
SCHEMBL11057944 0.70 KMT2A (0.48) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL19416225 0.70 ALDH1A1 (0.44) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL10077125 0.70 ALDH1A1 (0.39) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL11066153 0.69 HCAR3 (0.49) HCAR3ADRA2AADRA2BADRA2CNPC1
SCHEMBL11060545 0.68 FABP1 (0.53) MEN1KMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL9445131 0.68 ALDH1A1 (0.42) ADRA2AADRA2BADRA2CKMT2A

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
US-4482489-A USEFUL IN DIAZOTYPE SYSTEMS AND AS LATENT POLYMERIZATION INITIATORS JAMES RIVER GRAPHICS, INC. (US) 1984-11-13 US disclosed