SCHEMBL2012198

SCHEMBL2012198

COc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@@](O)(C(C)(C)C)[C@H]2N(CCc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CDC25C P30307 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3602288 0.83 NPC1 (0.41) NPC1RAB9AKMT2AL3MBTL1ALDH1A1
SCHEMBL2889248 0.81 L3MBTL1 (0.34) NPC1RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL2012197 0.78 ABCB1 (0.42) NPC1RAB9AALDH1A1LMNACYP3A4
SCHEMBL3599444 0.73 NPC1 (0.40) NPC1RAB9AKMT2AL3MBTL1MEN1
SCHEMBL2008895 0.69 NPC1 (0.39) NPC1RAB9AKMT2AL3MBTL1MEN1
SCHEMBL2008898 0.69 NPC1 (0.39) NPC1RAB9AKMT2AL3MBTL1MEN1
SCHEMBL2882211 0.69 NPC1 (0.48) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2876618 0.69 NPC1 (0.48) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2882213 0.69 NPC1 (0.48) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2887604 0.68 NPC1 (0.52) NPC1RAB9AKMT2AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed