SCHEMBL9684818

SCHEMBL9684818

Cc1ccc(Cl)c(Nc2ccccc2-c2nsc(NC#N)n2)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 3/20 0.54
PTGS2 P35354 8/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
METTL3 Q86U44 2/20 0.43

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
SCHEMBL9683784 0.82 CLCN2 (0.53) CLCN2PTGS2MEN1MAPK1KMT2A
SCHEMBL9683792 0.77 CLCN2 (0.52) CLCN2PTGS2MEN1MAPK1KMT2A
SCHEMBL9265856 0.75 CLCN2 (0.52) CLCN2PTGS2MEN1MAPK1KMT2A
SCHEMBL9682984 0.74 CLCN2 (0.49) CLCN2PTGS2MEN1MAPK1KMT2A
SCHEMBL7911040 0.74 CLCN2 (0.59) CLCN2PTGS2MEN1MAPK1KMT2A
SCHEMBL9683614 0.70 PTGS2 (0.51) CLCN2PTGS2MEN1MAPK1KMT2A
SCHEMBL9682992 0.69 PTGS2 (0.56) CLCN2PTGS2MEN1MAPK1KMT2A
SCHEMBL2760397 0.68 PTGS2 (0.65) CLCN2PTGS2MEN1MAPK1KMT2A
SCHEMBL8611982 0.68 CLCN2 (0.54) CLCN2PTGS2MEN1MAPK1KMT2A
SCHEMBL7916355 0.67 CLCN2 (0.56) CLCN2PTGS2MEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114958-A Lipoxygenase or cyclooxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1992-05-19 US claimed
US-5114958-A Lipoxygenase or cyclooxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1992-05-19 US disclosed