SCHEMBL5795404

SCHEMBL5795404

C[C@H](N[C@@H]1C(=O)N(C)CC(c2ccccc2)=C[C@@H]1c1ccccc1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.45
XIAP P98170 1/20 0.32
OPRK1 P41145 1/20 0.32
BRD4 O60885 4/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SRD5A1 P18405 1/20 0.30
HSD17B2 P37059 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
SCHEMBL5794319 1.00 KDM1A (0.45) KDM1AXIAPOPRK1BRD4TSHR
SCHEMBL5794323 0.82 XIAP (0.46) XIAPKMT2A
SCHEMBL5795407 0.82 XIAP (0.46) XIAPKMT2A
SCHEMBL5792552 0.79 KDM1A (0.49) KDM1AXIAPOPRK1BRD4KMT2A
SCHEMBL5791214 0.79 KDM1A (0.49) KDM1AXIAPOPRK1BRD4KMT2A
SCHEMBL5791597 0.79 KDM1A (0.46) KDM1A
SCHEMBL5794394 0.77 KDM1A (0.41) KDM1AXIAPTSHR
SCHEMBL5791515 0.74 KDM1A (0.42) KDM1AXIAPTSHRKMT2APOLB
SCHEMBL5792639 0.73 KDM1A (0.56) KDM1ABRD4KMT2ASRD5A1
SCHEMBL5793469 0.72 KDM1A (0.44) KDM1AOPRK1KMT2AHSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP claimed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO claimed
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed