SCHEMBL11073178

SCHEMBL11073178

COc1cc(N(C)C)ccc1C1OC(=O)c2cc(N(C)C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
PGR P06401 1/20 0.38
NR3C1 P04150 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL10694504 0.95 CA2 (0.51) CA2TDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL11070344 0.92 SMN1; SMN2 (0.39) CA2TDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL10691577 0.92 NPC1 (0.50) TDP1MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL11070254 0.92 LMNA (0.45) CA2TDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL11073531 0.92 ALDH1A1 (0.43) CA2TDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL10693011 0.84 CDK1 (0.50) MAPTSMN1; SMN2NPSR1GAATSHR
SCHEMBL11068781 0.84 ATM (0.43) CA2MAPTATMKDM4EALDH1A1
SCHEMBL10692102 0.84 LMNA (0.44) TDP1MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL10441515 0.81 ALDH1A1 (0.38) TDP1MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL10690177 0.80 ALDH1A1 (0.38) TDP1MAPTL3MBTL1SMN1; SMN2NPC1

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