SCHEMBL4979616

SCHEMBL4979616

C=Cc1ccc(CN2C(=O)NC3(C(=O)Nc4ccc(C)cc43)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 1/20 0.36
AKR1B1 P15121 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4258238 0.82 ADAMTS5 (0.39) KMT2AMAPTMEN1TP53POLB
SCHEMBL4974510 0.82 CNR1 (0.49) KMT2AMAPTMEN1CYP1A2POLB
SCHEMBL4979612 0.79 TP53 (0.39) KMT2AMAPTMEN1TP53CYP1A2
SCHEMBL4979246 0.77 POLB (0.41) KMT2AMAPTTP53CYP1A2POLB
SCHEMBL4976844 0.75 KMT2A (0.38) KMT2AMAPTCYP1A2POLBCYP3A4
SCHEMBL4979970 0.74 AKR1B1 (0.41) KMT2AMEN1CYP1A2POLBCYP3A4
SCHEMBL4979166 0.74 CYP1A2 (0.39) KMT2AMAPTMEN1CYP1A2POLB
SCHEMBL4979426 0.74 CNR1 (0.51) KMT2AMAPTMEN1CYP1A2POLB
SCHEMBL4977919 0.72 KMT2A (0.40) KMT2AMEN1POLBCYP3A4CYP2C19
SCHEMBL2483991 0.72 CNR1 (0.51) KMT2AMAPTTP53CYP2C19CNR1

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