Sugi Predict

Sugi Predict / Compounds / SCHEMBL8526012

SCHEMBL8526012

SCHEMBL8526012

Nc1cc(Cl)c(F)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.50
▸ CD44 P16070 1/20 0.40
▸ TSHR P16473 6/20 0.35
▸ CYP3A4 P08684 6/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL796071 0.81 GAA (0.48) GAACD44TSHRCYP3A4TP53
SCHEMBL7115457 0.81 GAA (0.48) GAACD44TSHRCYP3A4TP53
SCHEMBL10922033 0.81 GAA (0.48) GAACD44TSHRCYP3A4TP53
SCHEMBL29713610 0.81 GAA (0.48) GAACD44TSHRCYP3A4TP53
SCHEMBL8528070 0.78 CYP3A4 (0.41) GAATSHRCYP3A4NOS1NOS2
SCHEMBL5507622 0.78 PTK2 (0.50) GAAALDH1A1PTK2
SCHEMBL25027708 0.77 THRB (0.48) GAACD44TSHRCYP3A4ALDH1A1
SCHEMBL25245756 0.77 GAA (0.43) GAACD44TSHRCYP3A4TP53
SCHEMBL22572996 0.76 TSHR (0.44) GAACD44TSHRCYP3A4TP53
SCHEMBL4929798 0.76 GAA (0.41) GAACD44TSHRCYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682008-B1 Substituted 2-chloro-3,4,5-trifluorobenzenes and process for their preparation CLARIANT GMBH (DE) 1998-12-30 — — EP claimed
CN-1041197-C Substituted 2-chloro-3,4,5-trifluorobenzenes and a process for their preparation HOECHST AG (DE) 1998-12-16 — — CN claimed
CN-1112917-A Substituted 2-chloro-3,4,5-trifluorobenzenes and a process for their preparation HOECHST AG (DE) 1995-12-06 — — CN claimed
EP-0682008-A1 Substituted 2-chloro-3,4,5-trifluorobenzenes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-15 — — EP claimed
EP-0682008-B1 Substituted 2-chloro-3,4,5-trifluorobenzenes and process for their preparation CLARIANT GMBH (DE) 1998-12-30 — — EP disclosed
CN-1041197-C Substituted 2-chloro-3,4,5-trifluorobenzenes and a process for their preparation HOECHST AG (DE) 1998-12-16 — — CN disclosed
CN-1041197-C Substituted 2-chloro-3,4,5-trifluorobenzenes and a process for their preparation HOECHST AG (DE) 1998-12-16 — — CN disclosed
US-5565612-A Substituted 2-chloro-3,4,5-trifluorobenzenes and a process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-15 — — US disclosed
US-5565612-A Substituted 2-chloro-3,4,5-trifluorobenzenes and a process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-15 — — US disclosed
CN-1112917-A Substituted 2-chloro-3,4,5-trifluorobenzenes and a process for their preparation HOECHST AG (DE) 1995-12-06 — — CN disclosed
CN-1112917-A Substituted 2-chloro-3,4,5-trifluorobenzenes and a process for their preparation HOECHST AG (DE) 1995-12-06 — — CN disclosed
EP-0682008-A1 Substituted 2-chloro-3,4,5-trifluorobenzenes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-15 — — EP disclosed
EP-0682008-A1 Substituted 2-chloro-3,4,5-trifluorobenzenes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-15 — — EP disclosed