SCHEMBL25940711

SCHEMBL25940711

CCOC(=O)c1c(CBr)n(C)c2ncc(OC)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL25941248 0.90 SMN1; SMN2 (0.40) ALOX5SMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL25940696 0.85 SMN1; SMN2 (0.53) SMN1; SMN2MAPTHSD17B10ALDH1A1ATM
SCHEMBL25941344 0.84 PDE4B (0.39) ALOX5SMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL25938395 0.83 SMN1; SMN2 (0.40) ALOX5SMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL25948520 0.83 MAPT (0.40) ALOX5SMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL25941252 0.79 SMN1; SMN2 (0.42) ALOX5SMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL25940661 0.77 ELANE (0.46) ALOX5ALDH1A1KMT2AKDM4ELMNA
SCHEMBL26184766 0.77 SMN1; SMN2 (0.39) ALOX5SMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL25941246 0.75 SMN1; SMN2 (0.50) SMN1; SMN2MAPTHSD17B10ALDH1A1ATM
SCHEMBL25942293 0.74 MTNR1A (0.43) SMN1; SMN2DPP4HPGDPOLBPDE4B

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
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 — — EP disclosed
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