SCHEMBL9750005

SCHEMBL9750005

COc1ccc(C(=CC(C=C(c2ccc(OC)cc2)c2ccc(N(C)C)cc2)c2cc(C)ccc2C(N)=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 2/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.41
PARP10 Q53GL7 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
MAPT P10636 5/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
TLR9 Q9NR96 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9750417 0.92 MAPT (0.42) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL9838423 0.91 MAPT (0.41) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL9750060 0.88 RAB9A (0.43) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL9750137 0.87 ALDH1A1 (0.44) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL9750078 0.83 MAPT (0.39) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL9750085 0.82 NPC1 (0.50) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL9750097 0.81 ALDH1A1 (0.40) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL9749549 0.80 MAPT (0.38) MEN1KMT2ALMNACYP3A4TSHR
SCHEMBL9749572 0.80 ALDH1A1 (0.45) MEN1KMT2ALMNATSHRMAPT
SCHEMBL9749985 0.77 ALDH1A1 (0.39) MEN1KMT2ATSHRMAPTNPC1

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
US-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed
US-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed