SCHEMBL7182860

SCHEMBL7182860

CN(C)CCNc1ccc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
NPSR1 Q6W5P4 1/20 0.66
KAT2B Q92831 3/20 0.65
MAPT P10636 4/20 0.58
LMNA P02545 2/20 0.58
PKM P14618 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 1/20 0.50
VCAM1 P19320 1/20 0.48
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 2/20 0.45
RAD52 P43351 1/20 0.43
HCAR3 P49019 1/20 0.43
MERTK Q12866 1/20 0.42

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
SCHEMBL1204829 0.85 KAT2B (0.70) ALDH1A1NPSR1KAT2BMAPTLMNA
SCHEMBL31069460 0.85 KAT2B (0.70) ALDH1A1NPSR1KAT2BMAPTLMNA
SCHEMBL29519350 0.82 KAT2B (0.70) ALDH1A1KAT2BMAPTLMNAPKM
SCHEMBL112161 0.82 KAT2B (0.70) ALDH1A1KAT2BMAPTLMNAPKM
SCHEMBL9759799 0.82 ALDH1A1 (0.71) ALDH1A1NPSR1KAT2BMAPTLMNA
SCHEMBL2080430 0.82 KAT2B (0.65) ALDH1A1KAT2BMAPTLMNAPKM
SCHEMBL26913572 0.82 KAT2B (0.65) ALDH1A1KAT2BMAPTLMNAPKM
SCHEMBL2866187 0.82 KAT2B (0.65) ALDH1A1NPSR1KAT2BMAPTLMNA
SCHEMBL1594797 0.81 ALDH1A1 (0.72) ALDH1A1NPSR1KAT2BMAPTLMNA
SCHEMBL9725410 0.81 ALDH1A1 (0.72) ALDH1A1NPSR1KAT2BMAPTLMNA

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
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed