SCHEMBL7488186

SCHEMBL7488186

CC1CCN(c2c(-c3c(F)ccc(F)c3F)c(Cl)nc3ncnn23)C(C)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE2A O00408 14/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN2 Q96KS0 2/20 0.32

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
SCHEMBL4815099 0.91 TSHR (0.43) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL7493479 0.88 EGLN2 (0.43) TSHRGLANPSR1PDE2AEGLN2
SCHEMBL7491339 0.87 EGLN2 (0.41) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL4820334 0.86 TSHR (0.43) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL4821695 0.81 ALDH1A1 (0.41) TSHRGLAPDE2AALDH1A1LMNA
SCHEMBL7490029 0.80 GLA (0.40) TSHRGLANPSR1PDE2ALMNA
SCHEMBL8911798 0.78 GLA (0.42) TSHRGLANPSR1PDE2AEGLN2
SCHEMBL7491260 0.78 TSHR (0.37) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL4816609 0.77 ALDH1A1 (0.37) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL7488259 0.77 ALDH1A1 (0.37) TSHRGLANPSR1PDE2AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945453-B1 Fungicidal trifluorophenyl-triazolopyrimidines BASF AG (DE) 2002-11-20 EP claimed
EP-0945453-A1 Fungicidal trifluorophenyl-triazolopyrimidines American Cyanamid Company (US) 1999-09-29 EP claimed
EP-0945453-B1 Fungicidal trifluorophenyl-triazolopyrimidines BASF AG (DE) 2002-11-20 EP disclosed
US-6117865-A FOR CONTROLLING FUNGUS IN PLANTS AMERICAN CYANAMID COMPANY (US) 2000-09-12 US disclosed
EP-0945453-A1 Fungicidal trifluorophenyl-triazolopyrimidines American Cyanamid Company (US) 1999-09-29 EP disclosed