SCHEMBL9181708

SCHEMBL9181708

CCOc1cc(N(CC)CC)ccc1C1(c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)OC(=O)c2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 7/20 0.34
GRIA2 P42262 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR1 P21554 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BACE1 P56817 1/20 0.32
HRH4 Q9H3N8 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
SCHEMBL9255478 0.93 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL9179828 0.88 CYP3A4 (0.47) CYP3A4ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL9184164 0.88 CYP3A4 (0.47) CYP3A4ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL28284 0.87 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL30444451 0.87 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL29430021 0.87 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL9185141 0.85 ALDH1A1 (0.39) CYP3A4ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL7483791 0.84 CYP3A4 (0.39) CYP3A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL11967217 0.84 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL9186497 0.84 ALDH1A1 (0.41) CYP3A4ALDH1A1HPGDHIF1AHSD17B10

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-5401699-A Thermosensitive elements with color developers, fluoran derivatives and azaphthalides KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-03-28 US claimed
US-5401699-A Thermosensitive elements with color developers, fluoran derivatives and azaphthalides KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-03-28 US disclosed