SCHEMBL13199554

SCHEMBL13199554

Cc1c([N+](=O)[O-])ccc2c1OC(C)(C)[C@H](O)[C@H]2N(CCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ABCB1 P08183 3/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNA5 P22460 2/20 0.32
MEN1 O00255 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
MAPT P10636 1/20 0.31
NR1D1 P20393 1/20 0.31

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
SCHEMBL13199555 0.87 ABCB1 (0.42) ABCB1CYP3A4L3MBTL1KCNA5
SCHEMBL13199558 0.82 ABCB1 (0.43) KMT2AABCB1ALDH1A1CYP3A4KCNA5
SCHEMBL13199556 0.81 NR3C1 (0.37) ABCB1KCNA5
SCHEMBL2012197 0.81 ABCB1 (0.42) ABCB1ALDH1A1CYP3A4NPC1RAB9A
SCHEMBL13199561 0.76 ABCB1 (0.45) ABCB1CYP3A4KCNA5
SCHEMBL13199622 0.75 ABCB1 (0.44) ABCB1ALDH1A1CYP3A4KCNA5
SCHEMBL13199624 0.74 ABCB1 (0.44) ABCB1CYP3A4KCNA5
SCHEMBL13199632 0.74 NR1D1 (0.36) KMT2AABCB1ALDH1A1L3MBTL1NPC1
SCHEMBL2889489 0.73 NPC1 (0.45) KMT2AALDH1A1CYP1A2POLBCYP3A4
SCHEMBL5987814 0.73 ALDH1A1 (0.42) KMT2AABCB1ALDH1A1CYP1A2POLB

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-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed