SCHEMBL5755960

SCHEMBL5755960

O=c1[nH]nccc1N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.56
ALDH1A1 P00352 2/20 0.56
ROCK2 O75116 6/20 0.47
ROCK1 Q13464 6/20 0.47
CDC42BPB Q9Y5S2 6/20 0.47
CDC42BPA Q5VT25 4/20 0.47
MAPT P10636 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
PTGS2 P35354 1/20 0.38
CHKA P35790 1/20 0.37
ATR Q13535 2/20 0.37
ATRIP Q8WXE1 2/20 0.37
DAO P14920 1/20 0.37

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
Hydrochloric Acid SCHEMBL29878858 0.98 POLB (0.54) POLBALDH1A1ROCK2ROCK1CDC42BPB
SCHEMBL5758664 0.84 NCF1 (0.45) ROCK2ROCK1CDC42BPB
SCHEMBL5758663 0.82 PIK3CD (0.51) POLBROCK2ROCK1CDC42BPBMAPT
Hydrochloric Acid SCHEMBL4810850 0.82 NCF1 (0.44) ALDH1A1ROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL30014876 0.81 PIK3CD (0.50) POLBROCK2ROCK1CDC42BPBMAPT
SCHEMBL30876044 0.73 NUDT1 (0.51) ALDH1A1MAPTATRATRIP
SCHEMBL31145125 0.72 TSHR (0.42) POLBALDH1A1ROCK2ROCK1CDC42BPB
SCHEMBL20832011 0.71 TRPC5 (0.69) KMT2ATRPC5
Hydrochloric Acid SCHEMBL30872395 0.71 USP2 (0.41) POLBALDH1A1ROCK2ROCK1CDC42BPB
SCHEMBL28044373 0.70 CHKA (0.41) POLBALDH1A1ROCK2ROCK1CDC42BPB

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
EP-4077310-A1 SIGMA-1 RECEPTOR LIGANDS AND USES THEREOF Université de Strasbourg (FR) 2022-10-26 EP disclosed
EP-1266651-B1 UV absorbing and photostabilizing agents and compositions and external preparation for skin SHISEIDO CO LTD (JP) 2006-09-06 EP disclosed