SCHEMBL8895191

SCHEMBL8895191

N#Cc1c(N)c(Cl)c(F)c(C#N)c1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV4 Q9HBA0 1/20 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
SCHEMBL9687588 0.91 ALDH1A1 (0.39) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL9153952 0.91 ALDH1A1 (0.39) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL9687110 0.91 ALDH1A1 (0.42) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL9152929 0.91 ALDH1A1 (0.42) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL9154264 0.83 TRPV4 (0.39) MAPK1TRPV4
SCHEMBL1793668 0.83 MEN1 (0.48) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL25778066 0.80 TRPV4 (0.35) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL5674848 0.78 MEN1 (0.50) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL8895828 0.78 TRPV4 (0.36) TRPV4
SCHEMBL9688285 0.78 TRPV4 (0.39) TRPV4

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
CN-1226551-A 5-chloro-2,6-difluoro 1,3-isophthalonitrile-4-(alkyl) amine compounds and production thereof FANG JINGCHANG (CN) 1999-08-25 CN claimed
EP-0497213-B1 Process for producing 3,5-difluoroaniline ISHIHARA SANGYO KAISHA (JP) 1995-09-27 EP claimed
EP-0497213-A2 Process for producing 3,5-difluoroaniline ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-08-05 EP claimed
JP-5065250-A None JP disclosed
CN-1226551-A 5-chloro-2,6-difluoro 1,3-isophthalonitrile-4-(alkyl) amine compounds and production thereof FANG JINGCHANG (CN) 1999-08-25 CN disclosed
EP-0596130-B1 PRODUCTION OF 2-HALO-3,5-DIFLUOROANILINE, INTERMEDIATE FOR PRODUCING THE SAME, AND PRODUCTION OF SAID INTERMEDIATE SDS BIOTECH CORP (JP) 1997-09-24 EP disclosed
EP-0497213-B1 Process for producing 3,5-difluoroaniline ISHIHARA SANGYO KAISHA (JP) 1995-09-27 EP disclosed
US-5399767-A Process for producing 3,5-difluoraniline ISHIHARA SANGYO KAISHA LTD. (JP) 1995-03-21 US disclosed
EP-0596130-A1 PRODUCTION OF 2-HALO-3,5-DIFLUOROANILINE, INTERMEDIATE FOR PRODUCING THE SAME, AND PRODUCTION OF SAID INTERMEDIATE SDS Biotech K.K. (JP) 1994-05-11 EP disclosed
JP-H0565250-A PRODUCTION OF 3,5-DIFLUOROANILINE ISHIHARA SANGYO KAISHA LTD 1993-03-19 JP disclosed
US-5162584-A FLUOROBENZENE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-10 US disclosed
EP-0497213-A2 Process for producing 3,5-difluoroaniline ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-08-05 EP disclosed
EP-0415595-A1 Fluorobenzene derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-06 EP disclosed