SCHEMBL9339094

SCHEMBL9339094

COC(=O)c1ccc(=O)n(CCNC(=O)c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL9339746 0.94 SMN1; SMN2 (0.53) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9339717 0.90 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9339777 0.89 KMT2A (0.53) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9343650 0.88 RAB9A (0.50) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9339116 0.87 SMN1; SMN2 (0.53) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9343014 0.86 KMT2A (0.51) KMT2AMEN1LMNAPOLBUSP2
SCHEMBL9339739 0.86 EPHX2 (0.54) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL9339795 0.86 KMT2A (0.58) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9339077 0.85 KDM4E (0.52) ALDH1A1KMT2ALMNAPOLBTDP1
SCHEMBL9341043 0.84 KMT2A (0.54) KMT2AMEN1LMNAPOLBRAB9A

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-5360808-A Cardiovascular disorders, antispasmodic agents, hypotensive disorders, brains, anticonvulsants and antiepileptics HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-01 US disclosed
EP-0556738-A1 Pyridinylcarbonylaminoalkyl-dihydro-oxo-pyridines, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-25 EP disclosed
CN-1075480-A New aryl carbonylamino alkyl-dihydro-oxo pyridine compounds and production thereof and application HOECHST AG (US) 1993-08-25 CN disclosed