SCHEMBL9726748

SCHEMBL9726748

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.43
BRD9 Q9H8M2 3/20 0.43
KAT2B Q92831 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.38
BPTF Q12830 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
GPR183 P32249 1/20 0.36
GPR35 Q9HC97 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TP53 P04637 2/20 0.34

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 0.82 BRD4 (0.53) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL10871305 0.81 BRD4 (0.42) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL9726479 0.78 BRD4 (0.50) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL9726461 0.78 BRD4 (0.49) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL9726537 0.77 BRD4 (0.45) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL9726412 0.73 BRD4 (0.53) BRD4BRD9KAT2BSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9726406 0.72 BRD4 (0.52) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL21442514 0.69 BRD4 (0.47) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL9726566 0.68 LMNA (0.47) BRD4BRD9KAT2BSMN1; SMN2MEN1
SCHEMBL17074608 0.67 CNR2 (0.56) 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