SCHEMBL11525936

SCHEMBL11525936

Cc1ccc(N2CCN(c3ccc(C)c(Br)c3)C2C(Cl)(Cl)Cl)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.39
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ADRB1 P08588 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL1010081 0.85 ADRB1 (0.43) GAAHPGDTSHRMAPTLMNA
SCHEMBL1011864 0.75 MAPT (0.47) L3MBTL1GAAHPGDMAPTTDP1
SCHEMBL1012105 0.75 HRH3 (0.40) L3MBTL1KDM4EALDH1A1
SCHEMBL1012216 0.73 MAPT (0.49) L3MBTL1TSHRMAPTLMNANPSR1
SCHEMBL1012161 0.72 NPSR1 (0.34) TSHRMAPTLMNANPSR1ADRB1
SCHEMBL11530804 0.70 MAPT (0.46) L3MBTL1TSHRMAPTTDP1LMNA
SCHEMBL11526360 0.70 KAT2B (0.41) GAAHPGDMAPTALDH1A1
SCHEMBL11527050 0.70 MAPT (0.40) L3MBTL1GAAHPGDMAPTTDP1
SCHEMBL1010938 0.68 LTA4H (0.33)
SCHEMBL1012040 0.68 KDM4E (0.40) L3MBTL1GAAHPGDTSHRMAPT

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-4161528-A INSECTICIDES; MITICIDES CELAMERCK GMBH & CO. KG. (DE) 1979-07-17 US disclosed