SCHEMBL4783366

SCHEMBL4783366

CC1(C)Oc2cc(I)ccc2-c2c1c(C(=O)O)nn2-c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ HASPIN Q8TF76 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R2 O00459 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PIK3R5 Q8WYR1 1/20 0.34
▸ PIK3R3 Q92569 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL4730288 0.90 CNR2 (0.42) MEN1KMT2ACYP1A2KDM4EMAPT
SCHEMBL4728429 0.88 MARS1 (0.35) RIPK1MEN1KMT2ACYP1A2KDM4E
SCHEMBL4728284 0.88 CNR2 (0.38) RIPK1CCNCCDK8HASPINPIK3CD
SCHEMBL4782013 0.87 PDE4B (0.45) MEN1KMT2AKDM4EMAPTCNR1
SCHEMBL4731233 0.85 LMNA (0.44) CNR1CNR2ALDH1A1
SCHEMBL4729374 0.84 CNR2 (0.36) MEN1KMT2ACYP1A2KDM4EMAPT
Hydrochloric Acid SCHEMBL4726913 0.83 CNR1 (0.51) CYP1A2MAPTCYP2D6CYP2C9CNR1
SCHEMBL4729243 0.83 MARS1 (0.43) CNR1CNR2
SCHEMBL4728972 0.83 MARS1 (0.48) CNR1CNR2
SCHEMBL4728434 0.81 L3MBTL1 (0.39) L3MBTL1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 — — WO disclosed
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