SCHEMBL5733475

SCHEMBL5733475

Cc1cc(Br)cnc1CN(C)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL5733754 0.79 ALDH1A1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4HDAC1
SCHEMBL31279443 0.76 RIPK1 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL856557 0.76 ALDH1A1 (0.52) APOBEC3AAPOBEC3GALDH1A1AAK1PTGDR2
SCHEMBL1901573 0.76 CHRNB2 (0.53) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL13687204 0.75 CHRNB2 (0.61) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL15865596 0.73 AAK1 (0.43) NPC1RAB9AALDH1A1AAK1MEN1
SCHEMBL34465759 0.73 CHRNB2 (0.47) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL2870800 0.72 CCR5 (0.47) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL27186217 0.72 HPGD (0.48) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL855297 0.72 HDAC1 (0.47) NPC1HDAC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070713-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2006-10-18 EP disclosed
US-6335447-B1 BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 2002-01-01 US disclosed
EP-1070713-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-01-24 EP disclosed