SCHEMBL11115098

SCHEMBL11115098

C/C=C\c1ccc(N(C)C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.42
MAPT P10636 2/20 0.42
APP P05067 5/20 0.41
TERT O14746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS2 P35354 1/20 0.37
INSR P06213 1/20 0.37
EGFR P00533 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL11115105 1.00 APAF1 (0.42) APAF1MAPTAPPTERTALDH1A1
SCHEMBL17821590 0.82 APAF1 (0.45) APAF1MAPTAPPTERTALDH1A1
SCHEMBL17821587 0.82 APAF1 (0.45) APAF1MAPTAPPTERTALDH1A1
SCHEMBL31166670 0.78 RELA (0.61) MAPTAPPPTGS2INSRMEN1
SCHEMBL9349274 0.78 PTGS2 (0.61) APAF1MAPTALDH1A1PTGS2MEN1
SCHEMBL9349262 0.78 PTGS2 (0.61) APAF1MAPTALDH1A1PTGS2MEN1
SCHEMBL9823382 0.78 NFE2L2 (0.47) MAPTAPPALDH1A1TSHRALOX15
SCHEMBL143348 0.78 CYP2A6 (0.48) APAF1MAPTAPPTERTALDH1A1
SCHEMBL3669876 0.78 APAF1 (0.43) APAF1MAPTAPPTERTALDH1A1
SCHEMBL15802641 0.74 ALDH1A1 (0.37) APAF1MAPTAPPTERTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127203-A1 New phthalide derivatives, process for preparing the same and recording system utilizing the same as colourless chromogenic material KANZAKI PAPER MANUFACTURING CO., LTD (JP) 1984-12-05 EP disclosed
EP-0062544-A1 New phthalide derivatives, process for preparing the same and recording system utilizing the same as colourless chromogenic material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1982-10-13 EP disclosed