SCHEMBL6181801

SCHEMBL6181801

C=CCc1cc(N)c(C(=O)OC)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.37
MAPT P10636 5/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 8/20 0.37
KDM4E B2RXH2 7/20 0.37
HSD17B10 Q99714 7/20 0.37
HPGD P15428 4/20 0.37
ALOX15 P16050 2/20 0.37
USP2 O75604 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ABL1 P00519 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6172661 0.82 PTPN11 (0.37) RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL6179002 0.77 TDP1 (0.42) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8156940 0.77 KDM4E (0.38) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL6168671 0.70 ALDH1A1 (0.45) GAAMAPTRAB9AALDH1A1KDM4E
SCHEMBL6178828 0.70 KDM4E (0.47) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL3220088 0.68 MAPK14 (0.55) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL25229120 0.67 ALDH1A1 (0.69) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL3264762 0.67 KDM4E (0.46) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL30351280 0.67 ALDH1A1 (0.69) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL6176855 0.67 MAPT (0.41) GAAMAPTNPC1RAB9AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163236-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2005-11-09 EP disclosed
US-6476023-B1 Aromatic heterocyclic compounds as anti-inflammatory agents BOEHRINGEN INGELHEIM PHARMACEUTICALS, INC. 2002-11-05 US disclosed
EP-1163236-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-19 EP disclosed
US-6297381-B1 INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR, UREAS OR THIOUREAS SUBSTITUTED BY A PYRROLE OR THIOPHENE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-10-02 US disclosed
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed