SCHEMBL8911798

SCHEMBL8911798

CC1CCCN1c1c(-c2c(F)cccc2F)c(Cl)nc2ncnn12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
PDE2A O00408 18/20 0.41

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
SCHEMBL8912954 0.95 PDE2A (0.43) GLATSHRNPSR1EGLN2PDE2A
SCHEMBL4819706 0.92 PDE2A (0.40) GLATSHRNPSR1EGLN2PDE2A
SCHEMBL7493479 0.91 EGLN2 (0.43) GLATSHRNPSR1EGLN2PDE2A
SCHEMBL8916445 0.90 TSHR (0.43) GLATSHRNPSR1EGLN2PDE2A
SCHEMBL4812000 0.89 EGLN2 (0.45) TSHREGLN2PDE2A
SCHEMBL7491339 0.88 EGLN2 (0.41) GLATSHRNPSR1EGLN2PDE2A
SCHEMBL4815099 0.88 TSHR (0.43) GLATSHRNPSR1PDE2A
SCHEMBL8915863 0.87 TSHR (0.42) GLATSHRNPSR1EGLN2PDE2A
SCHEMBL7821904 0.86 PDE2A (0.39) GLATSHRNPSR1EGLN2PDE2A
SCHEMBL8911724 0.86 EGLN2 (0.42) TSHREGLN2PDE2A

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
US-5593996-A FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1997-01-14 US disclosed