SCHEMBL12415229

SCHEMBL12415229

Cc1cc2c(c3ccccc13)N=CC1(O2)N(C)c2cc3ccccc3cc2C1(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
KDM4E B2RXH2 5/20 0.60
THRB P10828 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALOX12 P18054 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
PKM P14618 1/20 0.60
LMNA P02545 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 1/20 0.55
GAA P10253 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.53
RECQL P46063 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 2/20 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
SCHEMBL12415233 0.92 MAPT (0.61) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL12415225 0.90 MAPT (0.64) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL12415230 0.88 MAPT (0.70) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL12415228 0.84 MAPT (0.55) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL14077718 0.84 KDM4E (0.59) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL12415234 0.84 MAPT (0.62) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL2401558 0.83 MAPT (0.76) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL12415224 0.80 MAPT (0.78) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL12415227 0.79 MAPT (0.52) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL12438151 0.78 MAPT (0.80) 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