SCHEMBL7595605

SCHEMBL7595605

Cn1nc(-c2cc(C(=O)O)c(Cl)cc2Cl)c(F)c1OC(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NTRK1 P04629 13/20 0.33
MYC P01106 1/20 0.31
NR4A1 P22736 1/20 0.31
CTSB P07858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ATM Q13315 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL7590051 0.91
SCHEMBL7829990 0.89 TSHR (0.34) TSHRNTRK1ALDH1A1TP53L3MBTL1
SCHEMBL7973876 0.86 NTRK1 (0.34) NTRK1
SCHEMBL8723144 0.83 TDP1 (0.38) NTRK1CTSBTDP1ALDH1A1TP53
SCHEMBL4067916 0.83 NTRK1 (0.35) NTRK1
SCHEMBL7593573 0.82 CRHR1 (0.31) L3MBTL1
SCHEMBL7974146 0.81
SCHEMBL8183820 0.80 NTRK1 (0.30) NTRK1
SCHEMBL7592422 0.80
SCHEMBL27559404 0.78 PDE5A (0.36) NTRK1ALDH1A1

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-0915853-B1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AG (DE) 2002-11-06 EP disclosed
US-6197973-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-0915853-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
WO-1998038169-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 WO disclosed