SCHEMBL8799224

SCHEMBL8799224

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.33
CYP1B1 Q16678 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CRHBP P24387 1/20 0.32
MC4R P32245 1/20 0.32
CRHR2 Q13324 1/20 0.32
MAPK14 Q16539 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
KMO O15229 2/20 0.31
NOTUM Q6P988 2/20 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
SCHEMBL8799050 0.85 KDM4E (0.32) KMT2AMEN1CRHBPCRHR2
SCHEMBL8799397 0.80 AHR (0.36) AHRCYP1B1KMT2AMEN1CRHBP
SCHEMBL9316592 0.76 PTGS1 (0.37) AHRCYP1B1KMT2AMEN1CRHBP
SCHEMBL8799727 0.73 AKR1C3 (0.33) AHRCYP1B1KMT2AMEN1CRHBP
SCHEMBL8797802 0.72 SLC6A3 (0.32) KMT2AMEN1CRHBPMC4RCRHR2
SCHEMBL7510534 0.69 NOTUM (0.35) KMT2AMEN1CRHBPMC4RCRHR2
SCHEMBL9015107 0.67 PSD (0.37) KMT2AMEN1CRHBPCRHR2AKR1C3
SCHEMBL5819704 0.66 CTSS (0.33) KMT2AMEN1MAPK14
SCHEMBL9316192 0.66 AHR (0.39) AHRCYP1B1KMT2AMEN1MAPK14
SCHEMBL9056721 0.65 ARF6 (0.35) AHRKMT2AMEN1CRHBPMC4R

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