SCHEMBL4665273

SCHEMBL4665273

O=C(NCCc1ccccc1)c1c(C[N+]2([O-])CCCC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
TP53 P04637 3/20 0.48
TACR3 P29371 5/20 0.44
PTGFR P43088 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TACR2 P21452 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL4665278 0.99 LMNA (0.66) LMNATP53TACR3PTGFRMAPT
SCHEMBL4668637 0.94 LMNA (0.59) LMNATP53TACR3ALDH1A1HPGD
SCHEMBL4665270 0.93 LMNA (0.58) LMNATP53TACR3ALDH1A1HPGD
SCHEMBL4667106 0.91 LMNA (0.64) LMNATP53TACR3PTGFRMAPT
SCHEMBL4665275 0.90 LMNA (0.64) LMNATP53TACR3PTGFRMAPT
SCHEMBL4668568 0.86 LMNA (0.50) LMNATP53TACR3ALDH1A1HPGD
SCHEMBL4667478 0.86 LMNA (0.56) LMNATP53TACR3MAPTALDH1A1
SCHEMBL4667525 0.86 LMNA (0.50) LMNATP53TACR3
SCHEMBL4667111 0.85 LMNA (0.49) LMNATP53TACR3
SCHEMBL4667076 0.85 LMNA (0.48) LMNATP53TACR3TACR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940795-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS AstraZeneca AB (SE) 2008-07-09 EP disclosed
WO-2007035156-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 WO disclosed