SCHEMBL5225759

SCHEMBL5225759

CSc1ccc(C(=O)C(CC(C)=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 3/20 0.41
NTSR1 P30989 1/20 0.40
MEN1 O00255 2/20 0.38
CYP2D6 P10635 1/20 0.38
BRD4 O60885 1/20 0.37
PLK1 P53350 1/20 0.37
TSHR P16473 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL14431632 0.87 POLB (0.42) POLBL3MBTL1KMT2AMEN1PLK1
SCHEMBL3941374 0.85 L3MBTL1 (0.48) POLBAKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL3942070 0.83 L3MBTL1 (0.45) POLBAKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL11733684 0.82 NTSR1 (0.56) POLBL3MBTL1CYP2C9CYP2C19KMT2A
SCHEMBL5224473 0.81 AKR1C3 (0.45) POLBAKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL11753507 0.78 AKR1C3 (0.49) POLBAKR1C3AKR1C2AKR1C1CYP2C9
SCHEMBL11749450 0.78 AKR1C3 (0.49) POLBAKR1C3AKR1C2AKR1C1CYP2C9
SCHEMBL7090969 0.78 AKR1C3 (0.49) POLBAKR1C3AKR1C2AKR1C1CYP2C9
SCHEMBL14507322 0.78 AKR1C3 (0.49) POLBAKR1C3AKR1C2AKR1C1CYP2C9
SCHEMBL7843939 0.77 AKR1C3 (0.48) POLBAKR1C3AKR1C2AKR1C1CYP2C9

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-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed