SCHEMBL7726418

SCHEMBL7726418

CNC(=O)c1cc(-c2ccc(OC)cc2)nn(C(C(N)=O)c2ccc(SC)cc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
JAK2 O60674 1/20 0.39
KLK7 P49862 1/20 0.38
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PHGDH O43175 1/20 0.38
HDAC1 Q13547 2/20 0.37
CASP1 P29466 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7726317 0.91 KLK7 (0.43) ALDH1A1LMNAHTTKLK7PHGDH
SCHEMBL7726389 0.80 JAK2 (0.47) ALDH1A1LMNAHTTJAK2PHGDH
SCHEMBL7726424 0.77 KMT2A (0.54) ALDH1A1LMNARXFP1MAPTKDM4E
SCHEMBL7723469 0.74 JAK2 (0.52) ALDH1A1LMNAHTTJAK2PHGDH
SCHEMBL7725155 0.73 JAK2 (0.47) ALDH1A1LMNAHTTJAK2MAPT
SCHEMBL7726706 0.73 ADORA3 (0.40) HTTHDAC1CASP1BRD4TSHR
SCHEMBL7720154 0.73 JAK2 (0.44) ALDH1A1LMNAHTTJAK2PHGDH
SCHEMBL7726296 0.72 JAK2 (0.45) ALDH1A1LMNAHTTJAK2MAPT
SCHEMBL7724719 0.72 JAK2 (0.45) ALDH1A1LMNAHTTJAK2MAPT
SCHEMBL7730172 0.72 LMNA (0.51) ALDH1A1LMNAJAK2RXFP1MAPT

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