SCHEMBL6995104

SCHEMBL6995104

[O-][n+]1ccc2cc(C(O)O)c(C(O)O)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPRB P23467 1/20 0.34
PTPRE P23469 1/20 0.34
PTPN6 P29350 1/20 0.34

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
SCHEMBL9902394 0.74 ATM (0.44) L3MBTL1
SCHEMBL6800092 0.72 GPR84 (0.38)
SCHEMBL30853167 0.67 CYP2A6 (0.55) L3MBTL1
SCHEMBL1571549 0.65 GPR84 (0.40)
Hydrochloric Acid SCHEMBL6434858 0.65 CYP2A6 (0.53) L3MBTL1
SCHEMBL1412024 0.65 GPR84 (0.40)
SCHEMBL4655589 0.65 CYP11B1 (0.34)
SCHEMBL2332668 0.65 CYP1A2 (0.34)
SCHEMBL23088139 0.65 CYP2A6 (0.46)
SCHEMBL7002379 0.65 CYP2A6 (0.46) L3MBTL1

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-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 EP disclosed
US-6248738-B1 ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS PFIZER INC. 2001-06-19 US disclosed
EP-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 WO disclosed