SCHEMBL4979612

SCHEMBL4979612

C=Cc1ccc(CN2C(=O)NC(=O)[C@@]23C(=O)Nc2ccc(C)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ADAMTS5 Q9UNA0 3/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4974508 0.80 POLB (0.43) MAPTMEN1KMT2ACYP1A2POLB
SCHEMBL4979616 0.79 KMT2A (0.37) TP53MAPTMEN1KMT2ACYP1A2
SCHEMBL4979242 0.76 POLB (0.43) TP53MAPTMEN1KMT2ACYP1A2
SCHEMBL4976840 0.74 POLB (0.37) MAPTCYP1A2POLBCYP3A4CYP2C19
SCHEMBL4244290 0.73 MAPT (0.39) TP53MAPTMEN1KMT2APOLB
SCHEMBL4979421 0.72 CYP1A2 (0.42) MAPTMEN1KMT2ACYP1A2POLB
SCHEMBL4979162 0.72 CYP1A2 (0.42) TP53MAPTMEN1KMT2ACYP1A2
SCHEMBL4979964 0.72 CYP1A2 (0.42) TP53MAPTMEN1KMT2ACYP1A2
SCHEMBL4977915 0.70 KDM4E (0.42) MAPTMEN1KMT2ACYP1A2POLB
SCHEMBL3953438 0.70 CYP1A2 (0.43) MAPTMEN1KMT2ACYP1A2POLB

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-1984374-A1 USE OF SPIRO Ý IMIDAZOLIDINE-4, 3'-INDOLE¨2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 AstraZeneca AB (SE) 2008-10-29 EP claimed
WO-2007091946-A1 USE OF SPIRO [ IMIDAZOLIDINE-4, 3'-INDOLE] 2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 WO claimed