SCHEMBL3145602

SCHEMBL3145602

CCCCc1ccccc1Nc1ccc(-c2ccc(Nc3ccccc3CCCC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ LIPG Q9Y5X9 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ DDX3X O00571 2/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ APP P05067 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL14321012 0.95 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C9LIPGPOLB
SCHEMBL2539193 0.89 MAPT (0.44) CYP3A4CYP2D6CYP2C9LIPGPOLB
SCHEMBL3142020 0.89 ADRA2B (0.40) CYP2D6CYP2C9MAPTGAATDP1
SCHEMBL11636131 0.88 MAPT (0.50) CYP3A4CYP2D6CYP2C9LIPGMAPT
SCHEMBL14320957 0.88 LIPG (0.51) LIPGMAPTSMN1; SMN2HSD17B10KCNH3
SCHEMBL11380769 0.88 LIPG (0.51) LIPGMAPTSMN1; SMN2HSD17B10KCNH3
SCHEMBL14785273 0.85 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9LIPGPOLB
SCHEMBL9754655 0.84 KCNH3 (0.49) CYP2D6CYP2C9LIPGMAPTGAA
SCHEMBL4015380 0.84 SMN1; SMN2 (0.40) CYP3A4CYP2D6CYP2C9LIPGPOLB
SCHEMBL2493912 0.83 LIPG (0.50) LIPGMAPTGAATDP1MEN1

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-7642028-B2 surface layers are a polymeric composition including a resin and a cyclic polymers such as polyethylene terephthalate, acrylic acid-ethylene copolymer, styrene-co-maleic anhydride copolymer; polyhexamethylene adipamide etc. and cyclic poly(bisphenol A carbonate), cyclic poly(bisphenol C carbonate) etc. XEROX CORPORATION (US) 2010-01-05 — — US claimed
US-20060210894-A1 Imaging members XEROX CORPORATION 2006-09-21 — — US claimed
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