SCHEMBL9316592

SCHEMBL9316592

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ARF6 P62330 1/20 0.36
AHR P35869 4/20 0.35
NOTUM Q6P988 2/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CRHBP P24387 1/20 0.33
MC4R P32245 1/20 0.33
CRHR2 Q13324 1/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
MAPK14 Q16539 1/20 0.32
KMO O15229 2/20 0.32
CYP1B1 Q16678 1/20 0.32
ALOX15 P16050 2/20 0.31
RAD51 Q06609 1/20 0.31
KIF20B Q96Q89 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
SCHEMBL9316723 0.86 PTGS1 (0.38) PTGS1PTGS2ARF6NOTUMKMT2A
SCHEMBL9316754 0.78 AHR (0.38) AHRNOTUMKMT2AMEN1MAPK14
SCHEMBL8799224 0.76 AHR (0.33) AHRNOTUMKMT2AMEN1CRHBP
SCHEMBL9316607 0.76 AHR (0.45) AHRNOTUMKMT2AMEN1MAPK14
SCHEMBL9316608 0.68 KIF11 (0.42) NOTUMKMT2ARAD51
SCHEMBL9056721 0.64 ARF6 (0.35) ARF6AHRNOTUMKMT2AMEN1
SCHEMBL9054925 0.64 MAPK14 (0.33) ARF6AHRNOTUMKMT2AMEN1
SCHEMBL8799050 0.62 KDM4E (0.32) KMT2AMEN1CRHBPCRHR2
SCHEMBL8799397 0.62 AHR (0.36) PTGS1PTGS2AHRKMT2AMEN1
SCHEMBL27259909 0.62 AR (0.51) AHRMAPK14KMOCYP1B1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310938-A Miticides, insecticides, parasiticides, and anthelmintics AMERICAN CYANAMID COMPANY (US) 1994-05-10 US claimed