SCHEMBL28755243

SCHEMBL28755243

Cc1ccc(C=Nc2ccccc2Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.55
▸ KDM4E B2RXH2 6/20 0.55
▸ HPGD P15428 6/20 0.55
▸ GAA P10253 3/20 0.55
▸ USP2 O75604 2/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 1/20 0.43
▸ PTGS2 P35354 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CHAT P28329 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GRIN2D O15399 1/20 0.38

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
SCHEMBL23819974 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL14037032 0.86 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL7919996 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL11410265 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL11407087 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL12292137 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL27680377 0.75 CHAT (0.67) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL27452340 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL16812882 0.74 LMNA (0.58) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL16620673 0.74 LMNA (0.71) ALDH1A1KDM4EHPGDGAAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100335468-C Diaryl amidine compound, its production, medicinal composition and use DRUG INST CHINESE ACADEMY OF M (CN) 2007-09-05 — — CN disclosed
CN-1712398-A Diaryl amidine compound, its production, medicinal composition and use DRUG INST CHINESE ACADEMY OF M (CN) 2005-12-28 — — CN disclosed
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