SCHEMBL6984005

SCHEMBL6984005

CCS(=O)(=O)Nc1ccccc1OC(=O)CN

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.47
MRGPRX1 Q96LB2 8/20 0.44
KCNA5 P22460 1/20 0.44
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 3/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6977356 0.80 MRGPRX1 (0.35) PSIP1MRGPRX1KCNA5HPGDHSD17B10
SCHEMBL3251056 0.79 PSIP1 (0.47) PSIP1MRGPRX1KCNA5HPGDHSD17B10
SCHEMBL9568642 0.78 THRB (0.49) PSIP1MRGPRX1KCNA5HPGDHSD17B10
SCHEMBL13011384 0.76 LMNA (0.65) PSIP1HPGDHSD17B10LMNAPTGS1
SCHEMBL13011383 0.74 PSIP1 (0.56) PSIP1MRGPRX1HPGDHSD17B10LMNA
SCHEMBL12768022 0.73 PSIP1 (0.73) PSIP1KCNA5HPGDHSD17B10LMNA
SCHEMBL6984009 0.73 HPGD (0.54) HPGDHSD17B10LMNAPOLBALDH1A1
SCHEMBL15212670 0.73 L3MBTL1 (0.44) HPGDHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL3897237 0.72 KMT2A (0.56) KCNA5LMNAPOLBALDH1A1MAPT
SCHEMBL6985161 0.72 CASR (0.40) KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed