SCHEMBL6883364

SCHEMBL6883364

CSc1ccc(-c2nc(C)nn2-c2ccc(C)c(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
STAT1 P42224 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGS2 P35354 1/20 0.39
MAPK10 P53779 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 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
SCHEMBL5202645 0.83 PTGS2 (0.53) POLBRAB9ASMN1; SMN2PTGS2MAPK10
SCHEMBL6885817 0.80 PTGS2 (0.53) SMN1; SMN2PTGS2MAPT
SCHEMBL5201918 0.78 MAPK13 (0.46) NPC1RAB9ASMN1; SMN2PTGS2MAPK10
SCHEMBL5203715 0.78 LMNA (0.43) POLBNPC1RAB9APTGS2MAPK10
SCHEMBL5205307 0.77 SMN1; SMN2 (0.45) POLBNPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL7876568 0.77 POLB (0.46) POLBSTAT1NPC1RAB9ASMN1; SMN2
SCHEMBL5201440 0.68 PTGS2 (0.49) SMN1; SMN2PTGS2MAPTGAATP53
SCHEMBL6885923 0.68 NR1H3 (0.57) POLBNPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL8772397 0.67 CYP3A4 (0.48) POLBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7878950 0.67 PTGS2 (0.43) POLBSMN1; SMN2PTGS2GABRPGABRD

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
US-6803380-B1 NON-STEROIDAL ANTIINFLAMMATORY DRUGS LABORATOIRE THERAMEX (MC) 2004-10-12 US disclosed
EP-1246809-B1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THERAMEX (MC) 2003-07-16 EP disclosed
EP-1246809-A1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2002-10-09 EP disclosed
WO-2001034577-A1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2001-05-17 WO disclosed
EP-1099695-A1 5-aryl-1H-1,2,4-triazole compounds as inhibitors of cyclooxygenase-2 and pharmaceutical compositions containing them LABORATOIRE THERAMEX S.A. (MC) 2001-05-16 EP disclosed