SCHEMBL8201662

SCHEMBL8201662

CN1CC2=C(C=CCC2=O)Nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
BRPF1 P55201 1/20 0.36
KMT2A Q03164 3/20 0.35
EPHX2 P34913 1/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 1/20 0.33
CASP3 P42574 1/20 0.33
CASP2 P42575 1/20 0.33
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 2/20 0.32
CYP11B1 P15538 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
SCHEMBL2629391 0.73 EPHX2 (0.54) BRD4CREBBPKMT2AEPHX2SMN1; SMN2
SCHEMBL7982185 0.71 MEN1 (0.48) BRD4CREBBPBRPF1KMT2AALDH1A1
SCHEMBL28552531 0.71 AHR (0.50) BRD4CREBBPKMT2AMAPTKDM4E
SCHEMBL28517190 0.66 PDGFRA (0.35) BRD4CREBBPBRPF1KMT2AEPHX2
SCHEMBL8590983 0.66 ACVR1 (0.44) BRD4CREBBPKMT2ASMN1; SMN2MEN1
SCHEMBL2629324 0.66 BRD4 (0.65) BRD4CREBBPBRPF1KMT2AEPHX2
SCHEMBL11071961 0.64 DDB1 (0.50) BRD4CREBBPBRPF1KMT2AEPHX2
SCHEMBL2279059 0.64 GAA (0.51) BRD4CREBBPKMT2AGAASMN1; SMN2
SCHEMBL20957514 0.62
SCHEMBL11066908 0.62 BRD4 (0.45) BRD4CREBBPBRPF1KMT2AEPHX2

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
US-6043239-A N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF THE N-SUBSTITUENT; TREATMENT OF PAINFUL, HYPERALGESIC AND/OR INFLAMMATORY CONDITIONS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed