SCHEMBL7730130

SCHEMBL7730130

COC(=O)c1cc(-c2ccc(OC)cc2)nn(CC#N)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ UBE2N P61088 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GABRG2 P18507 4/20 0.45
▸ GABRB3 P28472 4/20 0.45
▸ GABRA3 P34903 4/20 0.45
▸ GABRA1 P14867 3/20 0.45
▸ GABRA2 P47869 3/20 0.45
▸ GABRA5 P31644 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL7720252 0.89 ALDH1A1 (0.47) KDM4EALDH1A1GLAHPGDHTT
SCHEMBL7723580 0.89 KDM4E (0.56) PLA2G2AKDM4EALDH1A1GLAHPGD
SCHEMBL7720344 0.86 PLA2G2A (0.51) PLA2G2AKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL7723532 0.84 GABRG2 (0.49) PLA2G2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL7720271 0.81 MAPT (0.64) PLA2G2ATDP1GABRG2GABRB3GABRA3
SCHEMBL7723102 0.79 PLA2G2A (0.54) PLA2G2AKDM4EALDH1A1HPGDCYP1A2
SCHEMBL7724790 0.79 ALDH1A1 (0.55) KDM4EALDH1A1GLAHPGDHTT
SCHEMBL7720244 0.79 MAPT (0.51) PLA2G2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL7724767 0.78 NPC1 (0.54) PLA2G2AALDH1A1HTTCYP1A2CYP2D6
SCHEMBL7726371 0.77 PLA2G2A (0.48) PLA2G2AKDM4EALDH1A1CYP2D6CYP2C19

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-6403586-B1 Pyridazine derivatives and drugs containing the same as the active ingredient KOWA CO., LTD. (JP) 2002-06-11 — — US disclosed
EP-1061077-A1 NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Kowa Co., Ltd. (JP) 2000-12-20 — — EP disclosed
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