SCHEMBL8799397

SCHEMBL8799397

Cn1c(-c2ccc(Cl)c(Cl)c2)c(Br)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.36
CYP1B1 Q16678 1/20 0.36
HSD11B1 P28845 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CRHBP P24387 1/20 0.34
MC4R P32245 1/20 0.34
CRHR2 Q13324 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
COMT P21964 1/20 0.32
RAD51 Q06609 1/20 0.32
KIF20B Q96Q89 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
NFKB1 P19838 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
SCHEMBL8799224 0.80 AHR (0.33) AHRCYP1B1MEN1KMT2ACRHBP
SCHEMBL8799727 0.78 AKR1C3 (0.33) AHRCYP1B1MEN1KMT2ACRHBP
SCHEMBL8797802 0.77 SLC6A3 (0.32) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL7510534 0.75 NOTUM (0.35) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL8994492 0.69 MAPK14 (0.46) AHRCYP1B1HSD11B1MEN1KMT2A
SCHEMBL9191382 0.65 AR (0.38) AHRMEN1KMT2AALDH1A1LMNA
SCHEMBL8799220 0.65 AHR (0.38) AHRCYP1B1MEN1KMT2AAKR1C3
SCHEMBL8799050 0.63 KDM4E (0.32) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL7548622 0.62 KDM4E (0.39) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL9316592 0.62 PTGS1 (0.37) AHRCYP1B1MEN1KMT2ACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481182-B1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO (US) 1997-01-29 EP claimed
US-5157047-A Miticides AMERICAN CYANAMID COMPANY (US) 1992-10-20 US claimed
EP-0481182-A1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1992-04-22 EP claimed