SCHEMBL9725429

SCHEMBL9725429

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

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HCAR3 P49019 5/20 0.57
PRSS1 P07477 4/20 0.57
KDM4E B2RXH2 1/20 0.56
LMNA P02545 4/20 0.56
MAPT P10636 3/20 0.56
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL19436464 0.92 PKM (0.65) PKMKMT2AALDH1A1NPSR1HCAR3
SCHEMBL10502410 0.88 HCAR3 (0.74) KMT2AALDH1A1NPSR1HCAR3MAPT
SCHEMBL29513025 0.88 KMT2A (0.76) PKMKMT2AALDH1A1HCAR3PRSS1
SCHEMBL7974178 0.87 ALDH1A1 (0.64) PKMKMT2AALDH1A1NPSR1HCAR3
SCHEMBL24467503 0.87 LMNA (0.59) PKMKMT2AALDH1A1NPSR1HCAR3
SCHEMBL9725412 0.86 ALDH1A1 (0.63) PKMKMT2AALDH1A1NPSR1HCAR3
SCHEMBL7971817 0.86 ALDH1A1 (0.63) PKMKMT2AALDH1A1NPSR1HCAR3
SCHEMBL22118764 0.85 HCAR3 (0.78) PKMKMT2AALDH1A1HCAR3PRSS1
SCHEMBL29513080 0.85 PRSS1 (0.77) PKMKMT2AALDH1A1HCAR3PRSS1
SCHEMBL29513074 0.85 PRSS1 (0.75) PKMKMT2AALDH1A1HCAR3PRSS1

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
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