SCHEMBL9133237

SCHEMBL9133237

C=C(C)C(=O)Nc1c(Cl)cc(/N=N/c2cc(Cl)c(NC(=O)C(=C)C)c(Cl)c2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 6/20 0.33
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
NLRP1 Q9C000 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
TSHR P16473 1/20 0.32
GPR35 Q9HC97 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31

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
SCHEMBL9133003 1.00 TDP1 (0.39) TDP1RXFP1ALDH1A1LMNAL3MBTL1
SCHEMBL8766073 0.71 ALDH1A1 (0.44) TDP1RXFP1ALDH1A1LMNAL3MBTL1
SCHEMBL2723974 0.71 ALDH1A1 (0.38) TDP1RXFP1ALDH1A1LMNAL3MBTL1
SCHEMBL268927 0.69 RXFP1 (0.61) TDP1RXFP1ALDH1A1LMNAL3MBTL1
SCHEMBL268926 0.69 RXFP1 (0.61) TDP1RXFP1ALDH1A1LMNAL3MBTL1
SCHEMBL13921948 0.68 DHODH (0.51) TDP1RXFP1ALDH1A1LMNAL3MBTL1
SCHEMBL14690307 0.68 TDP1 (0.66) TDP1RXFP1ALDH1A1L3MBTL1POLB
SCHEMBL11678263 0.67 HDAC1 (0.46) ALDH1A1LMNAHTTHPGDKDM4E
SCHEMBL11678269 0.67 HDAC1 (0.46) ALDH1A1LMNAHTTHPGDKDM4E
SCHEMBL1025172 0.67 ALDH1A1 (0.66) TDP1ALDH1A1LMNAL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5415864-A Colonic-targeted oral drug-dosage forms based on crosslinked hydrogels containing azobonds and exhibiting PH-dependent swelling UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 1995-05-16 US claimed
EP-0544671-A4 COLONIC-TARGETED ORAL DRUG-DOSAGE FORMS BASED ON CROSSLINKED HYDROGELS CONTAINING AZOBONDS AND EXHIBITING PH-DEPENDENT SWELLING 1993-09-15 EP claimed
EP-0544671-A1 COLONIC-TARGETED ORAL DRUG-DOSAGE FORMS BASED ON CROSSLINKED HYDROGELS CONTAINING AZOBONDS AND EXHIBITING pH-DEPENDENT SWELLING UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 1993-06-09 EP claimed
WO-1991016057-A1 COLONIC-TARGETED ORAL DRUG-DOSAGE FORMS BASED ON CROSSLINKED HYDROGELS CONTAINING AZOBONDS AND EXHIBITING pH-DEPENDENT SWELLING UNIVERSITY OF UTAH (US) 1991-10-31 WO claimed