SCHEMBL8912337

SCHEMBL8912337

Fc1cccc(Cl)c1-c1c(Cl)nc2ncnn2c1N1CC=CCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GLA P06280 1/20 0.36
PDE2A O00408 4/20 0.35
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
APP P05067 1/20 0.33
LMNA P02545 3/20 0.32
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ENPP1 P22413 1/20 0.31

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
SCHEMBL4821688 0.95 TSHR (0.37) TSHRNPSR1GLAPDE2AALDH1A1
SCHEMBL4820465 0.87 PDE2A (0.39) TSHRNPSR1GLAPDE2AALDH1A1
SCHEMBL8916197 0.87 PDE2A (0.39) TSHRNPSR1GLAPDE2AALDH1A1
SCHEMBL4817364 0.86 TSHR (0.38) TSHRNPSR1GLAPDE2AALDH1A1
SCHEMBL7821621 0.85 ALDH1A1 (0.34) TSHRNPSR1GLAPDE2AALDH1A1
SCHEMBL4818887 0.85 TSHR (0.37) TSHRNPSR1GLAPDE2AALDH1A1
SCHEMBL4810483 0.85 TSHR (0.48) TSHRNPSR1GLAPDE2AALDH1A1
SCHEMBL5180722 0.84 TSHR (0.38) TSHRNPSR1GLAPDE2AALDH1A1
SCHEMBL4818646 0.84 MBOAT4 (0.37) TSHRNPSR1GLAPDE2AALDH1A1
SCHEMBL344327 0.83 TSHR (0.46) TSHRNPSR1GLAPDE2AALDH1A1

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 claimed