SCHEMBL11072148

SCHEMBL11072148

CSc1cc(N(C)C)ccc1C1OC(=O)c2cc(N(C)C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOB P27338 2/20 0.34
CRHR1 P34998 1/20 0.33
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
GSK3B P49841 1/20 0.32
NPSR1 Q6W5P4 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
TSHR P16473 1/20 0.30
NOTUM Q6P988 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 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
SCHEMBL11073265 0.92 ALDH1A1 (0.44) KDM4EALDH1A1TDP1CYP3A4HPGD
SCHEMBL10441515 0.81 ALDH1A1 (0.38) KDM4EALDH1A1TDP1CYP3A4HPGD
SCHEMBL10690177 0.80 ALDH1A1 (0.38) KDM4EALDH1A1TDP1CYP3A4HPGD
SCHEMBL339072 0.80 ALDH1A1 (0.47) KDM4EALDH1A1TDP1CYP3A4HPGD
SCHEMBL30422274 0.79 ALDH1A1 (0.41) KDM4EALDH1A1TDP1CYP3A4HPGD
SCHEMBL9617635 0.79 ALDH1A1 (0.41) KDM4EALDH1A1TDP1CYP3A4HPGD
SCHEMBL11063311 0.78 ALDH1A1 (0.58) KDM4EALDH1A1TDP1CYP3A4HPGD
SCHEMBL11073178 0.78 CA2 (0.43) KDM4EALDH1A1TDP1CYP3A4HPGD
SCHEMBL11281281 0.76 ALDH1A1 (0.44) KDM4EALDH1A1TDP1CYP3A4HPGD
SCHEMBL10680094 0.76 ALDH1A1 (0.44) KDM4EALDH1A1TDP1CYP3A4HPGD

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-4443614-A LEUCO DYES, PHTHALEIN DYES, INDICATORS KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1984-04-17 US disclosed
US-4439610-A FROM AMINES AND PHTHALIDES, MULTISTAGE KANZAKI PAPER MANUFACTURING COMPANY, LTD. (JP) 1984-03-27 US disclosed
US-4323700-A OXIDIZING 3-PHENYL PHTHACIDE PERIVATIVES KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1982-04-06 US disclosed
US-4045458-A FRIEDEL-CRAFTS CATALYSTS KANZAKI PAPER MANUFACTURING CO., LTD. (JA) 1977-08-30 US disclosed