SCHEMBL5223318

SCHEMBL5223318

COc1ccc(-c2cc(Oc3ccc(C#N)cc3)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
MAPKAPK2 P49137 1/20 0.45
GSK3B P49841 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ADORA1 P30542 2/20 0.42
THRB P10828 1/20 0.41
STAT3 P40763 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RXFP1 Q9HBX9 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL5226722 0.89 KMT2A (0.43) MEN1KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL5225138 0.88 MEN1 (0.43) KDM1AMAPKAPK2GSK3BCNR1CNR2
SCHEMBL5223322 0.83 BTK (0.50) THRBKDM4ENPSR1ALDH1A1MAPT
SCHEMBL5226694 0.82 KDM4E (0.43) KMT2AKDM4ECYP3A4NPC1
SCHEMBL5224317 0.80 POLB (0.57) CNR1CNR2ADORA1MEN1KMT2A
SCHEMBL5224164 0.79 ADORA1 (0.49) KDM1ACNR1CNR2ADORA1MEN1
SCHEMBL5228063 0.78 KMT2A (0.40) MEN1KMT2ARXFP1KDM4ENPSR1
SCHEMBL5224031 0.77 CNR1 (0.38) CNR1CNR2STAT3KMT2AKDM4E
SCHEMBL5221905 0.77 APP (0.49) GSK3BTHRBMEN1KMT2AKDM4E
SCHEMBL5222128 0.76 KMT2A (0.38) MEN1KMT2AKDM4ENPSR1ALDH1A1

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