SCHEMBL6823619

SCHEMBL6823619

NS(=O)(=O)c1cc(C(=O)NC2CCNCC2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PSMD14 O00487 1/20 0.55
USP2 O75604 1/20 0.55
PLA2G1B P04054 1/20 0.55
ALPL P05186 1/20 0.55
POLB P06746 1/20 0.55
MMP2 P08253 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
PTPN7 P35236 1/20 0.55
DUSP3 P51452 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SIRT5 Q9NXA8 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55

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
SCHEMBL31670530 0.87 CNR2 (0.73) CNR2NPSR1PSMD14USP2PLA2G1B
SCHEMBL6824779 0.83 SMYD3 (0.56) POLBKMT2AKDM4EMAPTSMYD3
SCHEMBL12200364 0.79 HTR4 (0.57) CNR2POLBKMT2AKDM4EMAPT
SCHEMBL1711760 0.76 TAS1R3 (0.57) KMT2ASMYD3NPC1RAB9AUTS2R
SCHEMBL3792626 0.76 NPC1 (0.56) CNR2NPSR1PSMD14USP2PLA2G1B
SCHEMBL6824522 0.75 MEN1 (0.56) KMT2ASMYD3NPC1RAB9AL3MBTL1
SCHEMBL1272484 0.75 CA1 (0.71) CA1CA2
SCHEMBL11346381 0.74 NPSR1 (0.68) NPSR1PSMD14USP2PLA2G1BALPL
SCHEMBL13687260 0.74 CA1 (0.66) KDM4ELMNAGLAMAPTHTT
Hydrochloric Acid SCHEMBL7527565 0.74 MEN1 (0.55) KMT2ASMYD3NPC1RAB9AL3MBTL1

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
WO-2004076444-A2 NOVEL HYDROXYCOUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC F. HOFFMANN-LA ROCHE AG (CH) 2004-09-10 WO disclosed
CN-1132828-C O-substd. hydroxy coumaranone derivs as antineoplastic and antitransfer agent ROCH DIAGNOSIS EQUIPMENT AG (DE) 2003-12-31 CN disclosed
US-6307051-B1 UROKINASE-TYPE PLASMINOGEN ACTIVATOR ANTAGONISTS AND HAVE ANTITUMOR AND ANTIMETASTATIC ACTIVITY. ROCHE DIAGNOSTICS GMBH (DE) 2001-10-23 US disclosed
CN-1266850-A O-substd. hydroxy coumaranone derivs as antineoplastic and antitransfer agent ROCH DIAGNOSIS EQUIPMENT AG (DE) 2000-09-20 CN disclosed
EP-1026165-A1 O-substituted Hydroxycoumaranone derivatives as antitumor and antimetastatic agents Roche Diagnostics GmbH (DE) 2000-08-09 EP disclosed