SCHEMBL9737132

SCHEMBL9737132

N#Cc1c(Cl)cc(Cl)c(Cl)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
CYP3A4 P08684 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 4/20 0.38
TSHR P16473 4/20 0.38
CASP1 P29466 1/20 0.38
TRPV4 Q9HBA0 2/20 0.32
AHR P35869 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
VCAM1 P19320 1/20 0.30
HTR3E A5X5Y0 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
SCHEMBL29497287 1.00 HPGD (0.43) HPGDCYP3A4ALDH1A1MAPK1MEN1
SCHEMBL4736891 0.89 HPGD (0.55) HPGDCYP3A4ALDH1A1MAPK1MEN1
SCHEMBL3695890 0.84 HPGD (0.50) HPGDCYP3A4ALDH1A1MAPK1MEN1
SCHEMBL6082482 0.83 MAPK1 (0.55) HPGDCYP3A4ALDH1A1MAPK1MEN1
SCHEMBL9417291 0.78 CYP3A4 (0.39) HPGDCYP3A4ALDH1A1MAPK1MEN1
SCHEMBL6082210 0.75 MAPK1 (0.46) HPGDCYP3A4ALDH1A1MAPK1MEN1
SCHEMBL22839898 0.75 MAPT (0.38) HPGDCYP3A4ALDH1A1MAPK1MEN1
SCHEMBL21574928 0.74 TRPV4 (0.41) HPGDCYP3A4ALDH1A1MAPK1MEN1
SCHEMBL10495789 0.73 HSD17B10 (0.52) HPGDCYP3A4ALDH1A1MAPK1MEN1
SCHEMBL9790158 0.73 ALDH1A1 (0.44) HPGDCYP3A4ALDH1A1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153350-A Process for preparing 3,4,6-trifluorophithalonitrile PFIZER INC., A CORPORATION OF DE 1992-10-06 US claimed
US-5153350-A Process for preparing 3,4,6-trifluorophithalonitrile PFIZER INC., A CORPORATION OF DE 1992-10-06 US disclosed
US-5153350-A Process for preparing 3,4,6-trifluorophithalonitrile PFIZER INC., A CORPORATION OF DE 1992-10-06 US disclosed
US-4239686-A Process for producing phthalimido derivatives ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1980-12-16 US disclosed