SCHEMBL9598102

SCHEMBL9598102

CC1(C)C=C(c2c(-c3ccc([N+](=O)[O-])cc3)cc[nH]c2=O)c2cc(C#N)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.36
POLB P06746 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ABCB1 P08183 4/20 0.32
MET P08581 1/20 0.32
KDR P35968 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
P2RY6 Q15077 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DAO P14920 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL9603010 0.88 PDE4A (0.34) ABCB1MAPTPDE4APDE4BPDE4C
SCHEMBL9596467 0.88 ALDH1A1 (0.36) ABCC9ABCB1MAPTPDE4APDE4B
SCHEMBL9682834 0.75 PDPK1 (0.39) ABCC9ABCB1PDE4APDE4BPDE4C
SCHEMBL9527648 0.73 ABCC9 (0.39) ABCC9NPC1MAPTPKMPDE4A
SCHEMBL9590268 0.73 ABCC9 (0.49) ABCC9ABCB1MEN1KMT2A
SCHEMBL9827460 0.72 ABCC9 (0.40) ABCC9MAOAMAOBNPC1MAPT
SCHEMBL9682845 0.71 PDGFRB (0.41) POLBMAPTMEN1KMT2ADAO
SCHEMBL8642468 0.70 PDE4A (0.38) ABCC9ABCB1PDE4APDE4BPDE4C
SCHEMBL7266970 0.69 ABCC9 (0.41) ABCC9ABCB1PDE4APDE4BPDE4C
SCHEMBL8643067 0.69 PDE4A (0.35) ABCC9ABCB1PDE4APDE4BPDE4C

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-5189047-A Useful in the treament of respiratory track disorder, hypertension and bronchodilator activity or utility as potassium channel activator BEECHAM GROUP P.L.C. (GB) 1993-02-23 US disclosed
EP-0413438-A1 Benzopyran compounds Beecham Group p.l.c. (GB) 1991-02-20 EP disclosed