SCHEMBL16976880

SCHEMBL16976880

CCCCCCCCCCCCCCCCc1sc(C)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KCNH2 Q12809 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ LIPG Q9Y5X9 1/20 0.40
▸ TLR8 Q9NR97 2/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39

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
SCHEMBL28322841 0.87 CNR2 (0.46) CNR2CNR1MAPTKCNH2KDM4E
SCHEMBL16405013 0.77 CNR2 (0.38) CNR2CNR1MAPTKCNH2MEN1
SCHEMBL10450091 0.76 CNR2 (0.51) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL31229334 0.76 CNR2 (0.51) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL4429817 0.76 CNR2 (0.51) CNR2CNR1MAPTKCNH2KDM4E
SCHEMBL9664897 0.74 KDM4E (0.51) MAPTKCNH2KDM4EALDH1A1HPGD
SCHEMBL12270392 0.74 CNR2 (0.40) CNR2CNR1MAPTKCNH2LIPG
SCHEMBL6060597 0.74 CNR2 (0.52) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL11148331 0.72 TLR8 (0.53) MAPTKCNH2KDM4EALDH1A1HPGD
SCHEMBL14888955 0.72 TLR8 (0.53) MAPTKCNH2KDM4EALDH1A1HPGD

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-2903078-B1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND DYE-ADSORBED ELECTRODE FUJIFILM CORP (JP) 2017-10-25 — — EP disclosed
EP-2903078-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND DYE-ADSORBED ELECTRODE FUJIFILM Corporation (JP) 2015-08-05 — — EP disclosed
Send feedback