SCHEMBL11080951

SCHEMBL11080951

CN(C)/C=C(/C=O)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
MAPT P10636 3/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCL2L1 Q07817 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8303787 1.00 POLB (0.65) POLBCYP11B1CYP11B2MAPTCYP1A2
SCHEMBL8303785 1.00 POLB (0.65) POLBCYP11B1CYP11B2MAPTCYP1A2
SCHEMBL2805466 0.82 POLB (0.53) POLBMAPTCYP1A2HPGDALOX12
SCHEMBL11066346 0.82 POLB (0.53) POLBMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL11066332 0.82 POLB (0.53) POLBMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL2805463 0.82 POLB (0.53) POLBMAPTCYP1A2HPGDALOX12
SCHEMBL11076121 0.82 POLB (0.53) POLBMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL1239325 0.81 POLB (0.51) POLBMAPTCYP1A2HPGDSMN1; SMN2
SCHEMBL11083067 0.81 POLB (0.51) POLBHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL11083064 0.81 POLB (0.51) POLBHPGDSMN1; SMN2ALDH1A1KMT2A

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
US-4465630-A Tetraazaannulene cobalt complex compounds and method for preparation therefor ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-08-14 US disclosed
EP-0073456-A1 Tetraazaannulene cobalt complex compounds and method for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-03-09 EP disclosed