SCHEMBL4592076

SCHEMBL4592076

CCCCC(C(=O)NOCc1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.48
ERAP2 Q6P179 4/20 0.47
IL1RN P18510 3/20 0.47
ERAP1 Q9NZ08 3/20 0.47
GPR84 Q9NQS5 2/20 0.47
FFAR1 O14842 1/20 0.47
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
LNPEP Q9UIQ6 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43

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
SCHEMBL4591388 0.94 GPR84 (0.52) ECE1ERAP2IL1RNERAP1GPR84
SCHEMBL4858383 0.80 MEN1 (0.61) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL21067833 0.80 MEN1 (0.61) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL28224620 0.79 GPR84 (0.52) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL16634428 0.78 HDAC3 (0.55) GPR84FFAR1MMP2MMP9MMP8
SCHEMBL1306986 0.77 HDAC3 (0.63) ECE1GPR84FFAR1MMP2MMP9
SCHEMBL19612657 0.77 GPR84 (0.55) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL1306793 0.77 HDAC3 (0.56) ECE1GPR84FFAR1MMP2MMP9
SCHEMBL1306368 0.76 HDAC3 (0.68) ECE1GPR84FFAR1MMP2MMP9
SCHEMBL28860693 0.76 MEN1 (0.59) GPR84FFAR1MEN1KMT2AMAPT

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-1891007-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-02-27 EP disclosed
WO-2006131484-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-12-14 WO disclosed