SCHEMBL8961053

SCHEMBL8961053

Cc1ccc(-c2cccc(C=C3NC(C)OC3=O)c2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.39
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PRF1 P14222 2/20 0.36
HTR7 P34969 1/20 0.34
ELANE P08246 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
SIRT1 Q96EB6 1/20 0.31
BACE1 P56817 1/20 0.31
LMNA P02545 2/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 2/20 0.30
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
MCL1 Q07820 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL8961052 1.00 NOTUM (0.39) NOTUMBRD4CREBBPPRF1HTR7
SCHEMBL8958542 0.76 LMNA (0.43) MEN1KMT2ASIRT1LMNAKDM4E
SCHEMBL10898389 0.73 SMN1; SMN2 (0.41) BRD4CREBBPPOLBMEN1KMT2A
SCHEMBL10899448 0.73 AKR1B1 (0.48) SIRT1
SCHEMBL5734465 0.69 TRIM24 (0.54) NOTUMBRD4HTR7ELANELMNA
SCHEMBL8402323 0.69 ALPL (0.40) MEN1KMT2ALMNAMAPT
SCHEMBL10896573 0.68 DYRK2 (0.54) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL9297456 0.68 NOTUM (0.55) NOTUMELANEPOLBGAABACE1
SCHEMBL10901430 0.67 ABCC4 (0.48) POLBGAAMEN1KMT2ASIRT1
SCHEMBL5396176 0.64 HTR7 (0.52) HTR7MEN1KMT2ABACE1LMNA

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-0546387-B1 Substituted oximetheramides BAYER AG (DE) 1996-01-31 EP disclosed
EP-0546387-A1 Substituted oximetheramides BAYER AG (DE) 1993-06-16 EP disclosed