SCHEMBL5221958

SCHEMBL5221958

COc1ccc(-c2nnc(Cl)cc2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
BACE1 P56817 2/20 0.49
ACACA Q13085 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
MAPT P10636 3/20 0.46
MITF O75030 1/20 0.46
PKM P14618 1/20 0.46
MAOB P27338 1/20 0.46
AGTR1 P30556 1/20 0.46

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
SCHEMBL5222119 0.94 KMT2A (0.44) ALDH1A1LMNAL3MBTL1NPSR1KDM4E
SCHEMBL5226884 0.87 MAPK14 (0.50) KDM4ENPC1RAB9A
SCHEMBL1752937 0.85 CSNK1D (0.47) ALDH1A1LMNAL3MBTL1NPSR1SMN1; SMN2
SCHEMBL5227004 0.84 NPC1 (0.62) ALDH1A1LMNAL3MBTL1NPSR1KDM4E
SCHEMBL5225894 0.82 DYRK1A (0.44) ALDH1A1LMNAL3MBTL1NPSR1KDM4E
SCHEMBL5224304 0.79 ADORA1 (0.53) ALDH1A1LMNAL3MBTL1NPSR1KDM4E
SCHEMBL1013453 0.79 AKT1 (0.42) ALDH1A1KDM4E
SCHEMBL5229288 0.79 NPSR1 (0.42) ALDH1A1LMNAL3MBTL1NPSR1SMN1; SMN2
SCHEMBL5223322 0.78 BTK (0.50) ALDH1A1LMNAL3MBTL1NPSR1KDM4E
SCHEMBL8834226 0.78 POLB (0.43) ALDH1A1LMNAL3MBTL1NPSR1KDM4E

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