SCHEMBL8611985

SCHEMBL8611985

Cc1ccc(Cl)c(Nc2ccc(-c3[c]cccc3)cc2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
METTL3 Q86U44 2/20 0.42
AKR1B10 O60218 1/20 0.42
ABCB11 O95342 1/20 0.42
TTR P02766 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
FABP2 P12104 1/20 0.42
RXRA P19793 1/20 0.42
TBXA2R P21731 1/20 0.42
NR4A1 P22736 1/20 0.42
PTGS1 P23219 1/20 0.42
PDE4A P27815 1/20 0.42
AKR1C3 P42330 1/20 0.42
NR4A2 P43354 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42

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
SCHEMBL8611982 0.78 CLCN2 (0.54) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL7162249 0.77 PTGS2 (0.58) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL1345351 0.77 PTGS2 (0.48) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL8611927 0.70 PTGS2 (0.44) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL24021583 0.67 PTGS2 (0.57) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL67548 0.67 ACHE (0.38) MEN1KMT2ALMNAMAPTTSHR
SCHEMBL436327 0.67 CYP1A2 (0.48) PTGS2MEN1KMT2APTGS1LMNA
SCHEMBL2760397 0.66 PTGS2 (0.65) PTGS2MEN1MAPK1KMT2AMETTL3
SCHEMBL7406019 0.66 AHR (0.50) MEN1KMT2AUSP2LMNAGAA
SCHEMBL1141083 0.66 NPC1 (0.39) MEN1MAPK1KMT2AUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840758-A USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ABBOTT LABORATORIES (US) 1998-11-24 US disclosed