SCHEMBL7412959

SCHEMBL7412959

CNCC(C)(C(=O)N1CCCC1)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 4/20 0.50
MAPT P10636 10/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 3/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR6 P50406 2/20 0.44
STAT3 P40763 1/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 2/20 0.41
GLA P06280 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL7097695 0.91 PKM (0.55) PKMSMN1; SMN2KMT2AMAPTNPC1
SCHEMBL7100941 0.90 PKM (0.54) PKMSMN1; SMN2KMT2AMAPTNPC1
SCHEMBL7103983 0.88 PKM (0.52) PKMSMN1; SMN2KMT2AMAPTNPC1
SCHEMBL7101468 0.87 PKM (0.55) PKMSMN1; SMN2KMT2AMAPTNPC1
SCHEMBL7415203 0.86 PKM (0.47) PKMSMN1; SMN2KMT2AMAPTNPC1
SCHEMBL7097462 0.85 PKM (0.49) PKMSMN1; SMN2KMT2AMAPTNPC1
SCHEMBL7097426 0.83 PKM (0.47) PKMSMN1; SMN2KMT2AMAPTNPC1
SCHEMBL7097859 0.83 PKM (0.47) PKMSMN1; SMN2KMT2AMAPTNPC1
SCHEMBL7412961 0.80 LMNA (0.48) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL7097043 0.79 KMT2A (0.59) PKMSMN1; SMN2KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed