SCHEMBL14531124

SCHEMBL14531124

Cn1nnnc1-c1cc([N+](=O)O)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.41
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 4/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
PTAFR P25105 1/20 0.33
P2RX7 Q99572 1/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 1/20 0.31
HPGD P15428 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
SCHEMBL926356 0.86 LMNA (0.56) KMOSMN1; SMN2LMNAALDH1A1PTAFR
SCHEMBL16014666 0.75 LMNA (0.60) KMOSMN1; SMN2LMNANPSR1GAA
SCHEMBL926841 0.75 SMN1; SMN2 (0.47) KMOSMN1; SMN2LMNAHIF1ANPSR1
SCHEMBL1531360 0.72 KDM4E (0.49) SMN1; SMN2LMNAHIF1AGAAALDH1A1
SCHEMBL30147353 0.71 HSD11B1 (0.61) KMOSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL13225994 0.69 LMNA (0.47) SMN1; SMN2LMNAHIF1ANPSR1RXFP1
SCHEMBL17359685 0.68 SMN1; SMN2 (0.50) KMOSMN1; SMN2HIF1ANPSR1RXFP1
SCHEMBL1531265 0.68 LMNA (0.50) SMN1; SMN2LMNANPSR1ALDH1A1MAPT
SCHEMBL4005594 0.67 LMNA (0.47) SMN1; SMN2LMNAHIF1AALDH1A1MAPT
SCHEMBL18755021 0.67 SMN1; SMN2 (0.36) KMOSMN1; SMN2LMNAHIF1ANPSR1

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-2007060026-A1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS GALAPAGOS SAS (FR) 2007-05-31 WO disclosed