SCHEMBL3170614

SCHEMBL3170614

C(=Cc1cccc2ccccc12)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.59
▸ CYP11B2 P19099 1/20 0.59
▸ CYP1A1 P04798 5/20 0.57
▸ CYP1A2 P05177 5/20 0.57
▸ CYP1B1 Q16678 5/20 0.57
▸ CYP2D6 P10635 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CHAT P28329 2/20 0.54
▸ TDO2 P48775 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PTGS1 P23219 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL3163578 0.81 CHAT (0.63) CYP1A1CYP1A2CYP1B1CYP2D6CHAT
SCHEMBL3163724 0.81 CHAT (0.63) CYP1A1CYP1A2CYP1B1CYP2D6CHAT
SCHEMBL2783745 0.81 CYP1A1 (0.59) CYP11B1CYP11B2CYP1A1CYP1A2CYP1B1
SCHEMBL2783746 0.81 CYP1A1 (0.59) CYP11B1CYP11B2CYP1A1CYP1A2CYP1B1
SCHEMBL6051064 0.80 CHAT (0.68) CHATPTGS1PTGS2
Benzene SCHEMBL28841289 0.80 CHAT (0.68) CHATPTGS1PTGS2
SCHEMBL29794070 0.80 CHAT (0.68) CHATPTGS1PTGS2
SCHEMBL2774767 0.80 CHAT (0.68) CHATPTGS1PTGS2
SCHEMBL1782982 0.80 CHAT (0.68) CHATPTGS1PTGS2
Hydrochloric Acid SCHEMBL11689959 0.79 CHAT (0.61) CYP1A1CYP1A2CYP1B1CYP2D6CHAT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107063-B1 Photobleachable compounds containing photopolymerizable compositions for use in flexographic printing plates DU PONT (US) 2010-03-10 — — EP claimed
US-6864039-B2 Such as naphthylvinyl-pyridine; for improved heat stability and image resolution E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-08 — — US claimed
EP-1107063-B1 Photobleachable compounds containing photopolymerizable compositions for use in flexographic printing plates DU PONT (US) 2010-03-10 — — EP disclosed
US-6864039-B2 Such as naphthylvinyl-pyridine; for improved heat stability and image resolution E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-08 — — US disclosed
US-20030219681-A1 Photobleachable compounds for use in flexographic printing plates CHENG LAP KIN (US) 2003-11-27 — — US disclosed
EP-1107063-A1 Photobleachable compounds containing photopolymerizable compositions for use in flexographic printing plates E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-06-13 — — EP disclosed
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