SCHEMBL12415230

SCHEMBL12415230

Cc1cc2c(c3ccccc13)N=CC1(O2)N(C)c2ccccc2C1(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.70
KDM4E B2RXH2 7/20 0.70
THRB P10828 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
ALOX12 P18054 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
PKM P14618 2/20 0.70
LMNA P02545 4/20 0.69
NPSR1 Q6W5P4 3/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
BLM P54132 1/20 0.69
ALDH1A1 P00352 4/20 0.61
GAA P10253 4/20 0.61
RECQL P46063 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
HPGD P15428 2/20 0.61
HTT P42858 2/20 0.61
MAPK1 P28482 2/20 0.61

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
SCHEMBL3160772 0.89 MAPT (0.60) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL12415226 0.88 MAPT (0.59) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL12415229 0.88 MAPT (0.60) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL12415224 0.87 MAPT (0.78) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL12415228 0.87 MAPT (0.55) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL13809573 0.87 MAPT (0.82) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL10419573 0.85 MAPT (0.66) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL8174722 0.84 MAPT (0.65) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL12415233 0.84 MAPT (0.61) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL23934945 0.84 MAPT (0.85) MAPTKDM4ETHRBSMN1; SMN2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8801976-B2 Photochromic material KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2014-08-12 US disclosed
US-20140191168-A1 PHOTOCHROMIC MATERIAL KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2014-07-10 US disclosed
US-8298453-B2 Photochromic material KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2012-10-30 US disclosed
US-20110163282-A1 PHOTOCHROMIC MATERIAL KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2011-07-07 US disclosed