SCHEMBL6949310

SCHEMBL6949310

Cc1cccc(C(=O)c2[nH]c3cc(Cl)ccc3c2NC(=O)N(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ENPP2 Q13822 1/20 0.39
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
CNR2 P34972 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL6954220 0.93 KCNK3 (0.40) KCNK3KCNK9ENPP2MCL1KDM4E
SCHEMBL6954922 0.92 PKM (0.41) ENPP2KDM4EMEN1MAPTHPGD
SCHEMBL6953897 0.89 ENPP2 (0.44) KCNK3KCNK9ENPP2MCL1KDM4E
SCHEMBL6954685 0.89 MEN1 (0.43) KDM4EMEN1MAPTHPGDKMT2A
SCHEMBL7498695 0.88 KDM4E (0.44) KCNK3KCNK9ENPP2MCL1KDM4E
SCHEMBL6954781 0.87 KCNK3 (0.42) KCNK3KCNK9ENPP2MCL1KDM4E
SCHEMBL7505803 0.85 KDM4E (0.47) KCNK3KCNK9MCL1KDM4EMEN1
SCHEMBL6949204 0.85 ENPP2 (0.38) ENPP2KDM4EMEN1MAPTHPGD
SCHEMBL7507549 0.84 HPGD (0.47) MCL1KDM4EMEN1LMNAMAPT
SCHEMBL7507930 0.84 KCNK3 (0.49) KCNK3KCNK9ENPP2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985666-B1 Substituted indole compounds as COX-2 inhibitors PFIZER (US) 2003-11-05 EP claimed
US-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 US claimed
EP-0985666-A1 Substituted indole compounds as COX-2 inhibitors PFIZER INC. (US) 2000-03-15 EP claimed
EP-0985666-B1 Substituted indole compounds as COX-2 inhibitors PFIZER (US) 2003-11-05 EP disclosed
US-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 US disclosed
EP-0985666-A1 Substituted indole compounds as COX-2 inhibitors PFIZER INC. (US) 2000-03-15 EP disclosed