SCHEMBL4555901

SCHEMBL4555901

CCn1c(=O)cc(C)c2ccc(C#N)cc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
CHEK1 O14757 1/20 0.43
LMNA P02545 1/20 0.42
CYP11B2 P19099 4/20 0.42
BRPF1 P55201 3/20 0.42
BRD1 O95696 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IDH1 O75874 1/20 0.41
CYP11B1 P15538 3/20 0.39
BRD4 O60885 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
BRPF3 Q9ULD4 1/20 0.39
ACSS2 Q9NR19 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL26091169 0.88 KDM4E (0.49) KDM4ELMNACYP11B2BRPF1BRD1
SCHEMBL30379290 0.88 KDM4E (0.49) KDM4ELMNACYP11B2BRPF1BRD1
SCHEMBL4787783 0.85 ALDH1A1 (0.44) KDM4ECHEK1BRPF1BRD1MEN1
SCHEMBL4789761 0.82 KDM4E (0.39) KDM4ECHEK1LMNABRPF1BRD1
SCHEMBL21076085 0.81 PTGER4 (0.48) CYP11B2CYP11B1ACSS2
SCHEMBL11099755 0.77 KDM4E (0.50) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL12002162 0.75 KDM4E (0.56) KDM4ELMNAALDH1A1HPGD
SCHEMBL17066941 0.74 MEN1 (0.69) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL30367071 0.74 MEN1 (0.69) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL21599721 0.74 PTGER4 (0.59) KDM4ELMNAMEN1KMT2AACSS2

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
EP-2121702-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008071961-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 WO disclosed