SCHEMBL7724782

SCHEMBL7724782

COc1ccc(-c2cc(NC(=O)OCc3ccc(SC)cc3)c(=O)n(CC=Cc3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
TACR3 P29371 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.37
MEN1 O00255 4/20 0.37
HDAC1 Q13547 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
USP2 O75604 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
SCHEMBL7724780 1.00 KMT2A (0.40) KMT2ATACR3LMNAPOLBALDH1A1
SCHEMBL7730090 0.91 TACR3 (0.49) KMT2ATACR3LMNAPOLBALDH1A1
SCHEMBL7730092 0.91 TACR3 (0.49) KMT2ATACR3LMNAPOLBALDH1A1
SCHEMBL7730137 0.87 TSHR (0.45) KMT2ALMNAPOLBALDH1A1TP53
SCHEMBL7730133 0.87 TSHR (0.45) KMT2ALMNAPOLBALDH1A1TP53
SCHEMBL7723481 0.86 KMT2A (0.47) KMT2ALMNAPOLBALDH1A1TP53
SCHEMBL7723477 0.86 KMT2A (0.47) KMT2ALMNAPOLBALDH1A1TP53
SCHEMBL7720318 0.84 ALDH1A1 (0.45) KMT2ALMNAPOLBALDH1A1TP53
SCHEMBL7720319 0.84 ALDH1A1 (0.45) KMT2ALMNAPOLBALDH1A1TP53
SCHEMBL7723636 0.83 KMT2A (0.47) KMT2ALMNAPOLBALDH1A1TP53

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