SCHEMBL8122897

SCHEMBL8122897

O=C(NCCc1ccccc1)Nc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ ROCK2 O75116 4/20 0.53
▸ ROCK1 Q13464 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ PRMT3 O60678 1/20 0.48
▸ CNR1 P21554 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL7094894 0.91 ROCK2 (0.52) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL22167182 0.83 MGLL (0.54) KMT2AMEN1MAPTLMNAHTT
SCHEMBL9314587 0.79 MGLL (0.45) KMT2AMEN1NPC1RAB9AMAPT
Acitazanolast SCHEMBL342549 0.77 GPR35 (0.54) KMT2AMEN1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL3002263 0.76 ROCK1 (0.49) ROCK2ROCK1
Hydrochloric Acid SCHEMBL3002276 0.76 ROCK1 (0.49) ROCK2ROCK1
Acitazanolast SCHEMBL3116621 0.76 GPR35 (0.53) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6694019 0.76 MAPT (0.59) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL9573406 0.76 MAPT (0.43) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL31680549 0.75 MMP2 (0.54) KMT2AMEN1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 — — EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 — — US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 — — US disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 — — EP disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 — — WO disclosed
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