SCHEMBL3241772

SCHEMBL3241772

C#CCN(CCN(C(=O)OC(C)(C)C)C(C)C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.36
HSD17B10 Q99714 8/20 0.36
HPGD P15428 7/20 0.36
ALDH1A1 P00352 6/20 0.36
USP2 O75604 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ADRB2 P07550 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 6/20 0.33
MAPT P10636 6/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ESR1 P03372 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL3250632 0.92 KDM4E (0.38) KDM4EHSD17B10HPGDALDH1A1USP2
SCHEMBL3255176 0.90 HSD17B10 (0.36) KDM4EHSD17B10HPGDALDH1A1USP2
SCHEMBL4160301 0.87 KDM4E (0.32) KDM4EHSD17B10HPGDALDH1A1USP2
SCHEMBL3250636 0.85 KDM4E (0.38) KDM4EHSD17B10HPGDALDH1A1USP2
SCHEMBL3255165 0.84 KDM4E (0.35) KDM4EHSD17B10HPGDALDH1A1USP2
SCHEMBL3245366 0.84 KDM4E (0.39) KDM4EHSD17B10HPGDALDH1A1USP2
SCHEMBL3248746 0.84 KDM4E (0.41) KDM4EHSD17B10HPGDALDH1A1USP2
SCHEMBL3253590 0.83 KDM4E (0.42) KDM4EHSD17B10HPGDALDH1A1USP2
Butyric Acid SCHEMBL4160306 0.82 RXFP1 (0.36) KDM4EHSD17B10HPGDALDH1A1USP2
SCHEMBL3254739 0.82 KDM4E (0.38) KDM4EHSD17B10HPGDALDH1A1USP2

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed