SCHEMBL11490284

SCHEMBL11490284

COC(=O)C=CCNC(C([NH])=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.38
CASR P41180 1/20 0.38
RAB9A P51151 1/20 0.38
KLK7 P49862 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CRHBP P24387 1/20 0.36
CYP2C19 P33261 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11490287 0.87 EPHX1 (0.42) KMT2AMEN1ATMPOLBCASR
SCHEMBL7403326 0.81 APAF1 (0.50) KMT2AMEN1POLBCASRRAB9A
SCHEMBL11491237 0.78 CA12 (0.45) KMT2AMEN1ATMRAB9ACYP1A2
SCHEMBL10332375 0.72 MEN1 (0.41) KMT2AMEN1RAB9ASMN1; SMN2LMNA
SCHEMBL17445799 0.71 POLB (0.41) KMT2AMEN1POLBLMNAKDM4E
SCHEMBL8262659 0.71 MAOB (0.50) POLBRAB9AHTTLMNAALDH1A1
SCHEMBL7148105 0.71 MAOB (0.50) POLBRAB9AHTTLMNAALDH1A1
SCHEMBL7150103 0.71 MAOB (0.50) POLBRAB9AHTTLMNAALDH1A1
SCHEMBL15572889 0.70 KMT2A (0.55) KMT2AMEN1ATMRAB9AKLK7
SCHEMBL17291665 0.70 KMT2A (0.55) KMT2AMEN1ATMRAB9AKLK7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0019401-A1 Process for preparing enamine derivatives, compounds so produced and process for preparing a 3-hydroxy-cephalosporin Lilly Industries Limited (GB) 1980-11-26 EP disclosed