SCHEMBL8038403

SCHEMBL8038403

Clc1ccc(C2=NNC(c3ccc(Br)cc3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
POLB P06746 1/20 0.59
MAOA P21397 2/20 0.56
CXCL12 P48061 1/20 0.56
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 1/20 0.55
KDM4E B2RXH2 4/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 2/20 0.46
GAA P10253 2/20 0.46
CXCR5 P32302 1/20 0.46
APLNR P35414 1/20 0.46
CCR6 P51684 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45

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
SCHEMBL11528895 0.92 MAOA (0.63) MAPTSMN1; SMN2POLBMAOACXCL12
SCHEMBL11534518 0.92 MAPT (0.48) MAPTSMN1; SMN2POLBMAOACXCL12
Hydrochloric Acid SCHEMBL30382679 0.91 MAOA (0.61) MAPTSMN1; SMN2POLBMAOACXCL12
SCHEMBL9186848 0.81 CXCL12 (0.55) MAPTSMN1; SMN2POLBMAOACXCL12
SCHEMBL9184554 0.79 CXCL12 (0.54) MAPTSMN1; SMN2POLBMAOACXCL12
SCHEMBL9182323 0.79 MAOA (0.54) MAPTSMN1; SMN2POLBMAOACXCL12
SCHEMBL22899670 0.79 MEN1 (0.62) MAPTSMN1; SMN2MAOACXCL12ALDH1A1
SCHEMBL10964792 0.78 MAOA (0.53) MAPTSMN1; SMN2POLBMAOACXCL12
SCHEMBL9183953 0.78 BRAF (0.46) MAPTSMN1; SMN2POLBMAOACXCL12
SCHEMBL18334276 0.76 ROCK2 (0.67) EGFRPIM1ROCK2CSF1RPRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6159973-A Aromatic amides, their preparation process, the compositions containing them and their use as pesticides HOECHST SCHERING AGREVO S.A. (FR) 2000-12-12 US disclosed
EP-0805795-B1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO SA (FR) 2000-08-23 EP disclosed
US-6013837-A E.G.,4-(2-(3,4,5-TRICHLORO PHENYL) 1-FLUOROCYCLOPROPYL)-N-(2-METHYL PHENYL)BENZAMIDE; PARTICULAR USE AGAINST ARTHROPODS, HELMINTHS AND MOLLUSCS; INSECTICIDES; ACARICIDES; NEMATICIDES; PHOTOSTABILITY; NONTOXIC TO MAMMALS HOECHST MARION ROUSSEL (FR) 2000-01-11 US disclosed
EP-0805795-A1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES Hoechst Schering AgrEvo S.A. (FR) 1997-11-12 EP disclosed
WO-1996022965-A1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO S.A. (FR) 1996-08-01 WO disclosed