SCHEMBL7419213

SCHEMBL7419213

Cc1cc(OCc2ccc(-c3c(Cl)c[nH]c3C#N)cc2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.44
HTT P42858 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
GRM5 P41594 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 2/20 0.34
IMPDH2 P12268 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
SCHEMBL7410622 0.84 ADAM17 (0.42) HTTLMNAL3MBTL1KDM4CMAPT
SCHEMBL7415161 0.81 AGTR1 (0.53)
SCHEMBL7415898 0.79 AGTR1 (0.45) KDM4C
SCHEMBL7421726 0.78 KDM4C (0.38) LMNAKDM4C
SCHEMBL12572410 0.74 HTT (0.50) NR1H4HTTCTDSP1LMNAL3MBTL1
SCHEMBL30524940 0.71 LMNA (0.68) HTTCTDSP1LMNAL3MBTL1MAPT
SCHEMBL2005868 0.71 LMNA (0.68) HTTCTDSP1LMNAL3MBTL1MAPT
SCHEMBL7420289 0.68 KMT2A (0.37) HTT
SCHEMBL7418070 0.67 ALDH1A1 (0.42) LMNAMAPT
SCHEMBL26607018 0.65 GRM5 (0.46) GRM5CNR1IMPDH2

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-1993016071-A1 HETEROCYCLIC DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-19 WO disclosed