SCHEMBL9726461

SCHEMBL9726461

CN(C)C(=O)c1ccc(CNc2cnn(C(C)(C)C)c(=O)c2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.49
BRD9 Q9H8M2 3/20 0.49
KAT2B Q92831 3/20 0.48
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
GPR183 P32249 1/20 0.41
RAB9A P51151 1/20 0.41
GPR35 Q9HC97 1/20 0.41
BPTF Q12830 3/20 0.40
RET P07949 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9726805 0.88 BRD4 (0.53) BRD4BRD9KAT2BEPHX2NR1H4
SCHEMBL9726479 0.86 BRD4 (0.50) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL9726412 0.84 BRD4 (0.53) BRD4BRD9KAT2BSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9726406 0.83 BRD4 (0.52) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL9726537 0.81 BRD4 (0.45) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL9726748 0.78 BRD4 (0.43) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL9726566 0.74 LMNA (0.47) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL21442514 0.73 BRD4 (0.47) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL10871305 0.73 BRD4 (0.42) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL9726376 0.71 BPTF (0.47) BRD4BRD9KAT2BSMN1; SMN2MEN1

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
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed