SCHEMBL7778718

SCHEMBL7778718

CN(C)CCCNc1ccc([N+](=O)[O-])cc1Cl.CN(C)CCNc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 6/20 0.56
PKM P14618 3/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
KAT2B Q92831 1/20 0.48
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL6814378 0.97 MEN1 (0.58) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL6815730 0.95 ALDH1A1 (0.63) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL17208819 0.83 SMN1; SMN2 (0.69) ALDH1A1NPSR1KMT2AMAPTPKM
SCHEMBL13105356 0.82 SMN1; SMN2 (0.54) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL21616838 0.82 SMN1; SMN2 (0.57) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL3858593 0.82 MEN1 (0.52) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL1594797 0.80 ALDH1A1 (0.72) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL26640796 0.80 MAPT (0.58) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL9760510 0.80 HTT (0.53) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL5201964 0.79 KMT2A (0.65) ALDH1A1MEN1KMT2AMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed