SCHEMBL6417159

SCHEMBL6417159

N#Cc1[c]c2c3c(cccc3c1)-c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 2/20 0.41
CASP1 P29466 3/20 0.37
HPGD P15428 2/20 0.37
HIF1A Q16665 2/20 0.37
CASP7 P55210 2/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.34
PABPC1 P11940 1/20 0.34
DNMT1 P26358 1/20 0.34
KLK7 P49862 1/20 0.33
MCL1 Q07820 2/20 0.32
FGFR1 P11362 1/20 0.32
USP8 P40818 1/20 0.32

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
SCHEMBL18317228 0.74 MAPK1 (0.45) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL18317628 0.74 MAPK1 (0.45) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL6413199 0.74 ALDH1A1 (0.45) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL328962 0.69 KDM4E (0.44) ALDH1A1TSHRHSD17B10HPGDKDM4E
SCHEMBL6413188 0.68 ALDH1A1 (0.38) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL2995194 0.68 KLK7 (0.47) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL6413453 0.67 CYP1A2 (0.37) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL18317640 0.66 KDM4E (0.41) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL18317172 0.65 RAB9A (0.37) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL26787 0.63 ALDH1A1 (0.56) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1

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-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed