SCHEMBL10691577

SCHEMBL10691577

COc1ccccc1C1OC(=O)c2cc(N(C)C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NR3C1 P04150 3/20 0.42
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 2/20 0.39
HTR1A P08908 1/20 0.39
P2RX3 P56373 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL11073178 0.92 CA2 (0.43) NPC1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11070254 0.90 LMNA (0.45) NPC1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11070344 0.87 SMN1; SMN2 (0.39) NPC1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL10694504 0.87 CA2 (0.51) NPC1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11073531 0.84 ALDH1A1 (0.43) NPC1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL9617635 0.82 ALDH1A1 (0.41) NPC1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL30422274 0.82 ALDH1A1 (0.41) NPC1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL10693011 0.82 CDK1 (0.50) MAPTSMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL15010031 0.81 ALDH1A1 (0.44) NPC1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL11068781 0.80 ATM (0.43) MAPTALDH1A1KDM4ECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US claimed
US-4323700-A OXIDIZING 3-PHENYL PHTHACIDE PERIVATIVES KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1982-04-06 US claimed
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed
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