SCHEMBL24716126

SCHEMBL24716126

Cn1c(-c2ccc(CC(F)(F)C(F)(F)F)nc2)nc2cc(Br)c(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ HDAC1 Q13547 6/20 0.38
▸ HDAC6 Q9UBN7 6/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HDAC5 Q9UQL6 3/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GFER P55789 1/20 0.34

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
SCHEMBL27189010 0.82 CYP11B1 (0.37) CYP11B1CYP11B2MEN1KMT2ACA12
SCHEMBL24168714 0.72 NPBWR1 (0.40) CYP11B1MEN1KMT2AKDM4ENPC1
SCHEMBL28395012 0.69 ATM (0.54) CYP11B1CYP11B2HDAC1HDAC6MEN1
SCHEMBL30060553 0.69 ATM (0.54) CYP11B1CYP11B2HDAC1HDAC6MEN1
SCHEMBL25481911 0.65 CCR1 (0.40) HDAC6MEN1KMT2AKDM4ENPC1
SCHEMBL10423590 0.63 MEN1 (0.57) CYP11B1CYP11B2HDAC1HDAC6MEN1
SCHEMBL17896647 0.63 CYP11B2 (0.67) CYP11B1CYP11B2HTTKIT
SCHEMBL28392846 0.61 KDM4E (0.58) HDAC1MEN1KMT2AKDM4ENPC1
SCHEMBL24168606 0.60 NPC1 (0.56) HDAC6MEN1KMT2AKDM4ENPC1
SCHEMBL20982482 0.60 ALDH1A1 (0.50) CYP11B1CYP11B2HDAC1HDAC6MEN1

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
WO-2022255460-A1 BENZIMIDAZOLE COMPOUND OR SALT THEREOF, CANINE FILARIASIS CONTROL AGENT CONTAINING SAME, AND METHOD OF USE THEREOF 日本農薬株式会社 2022-12-08 — — WO disclosed
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