SCHEMBL1670344

SCHEMBL1670344

COc1ccc(-c2cc(C)c(C#N)n2-c2c(C)noc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
NTRK1 P04629 1/20 0.39
PIM1 P11309 1/20 0.39
BRD4 O60885 6/20 0.38
THRB P10828 1/20 0.38
BRD2 P25440 2/20 0.38
BRD3 Q15059 2/20 0.38
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CREBBP Q92793 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL12800445 0.82 PTGS2 (0.42) PTGS2NTRK1PIM1BRD4BRD2
SCHEMBL1672841 0.78 MAOA (0.39) PTGS2NTRK1PIM1BRD4THRB
SCHEMBL12986874 0.78 CREBBP (0.39) PTGS2BRD4MAPTCREBBPMAPK1
SCHEMBL1670583 0.77 MAOA (0.38) PTGS2NTRK1PIM1BRD4MAPT
SCHEMBL1672794 0.73 PTGS2 (0.44) PTGS2BRD4BRD2BRD3MAPT
SCHEMBL1670708 0.68 PTGS2 (0.43) PTGS2BRD4MAPTSMN1; SMN2KDM4E
SCHEMBL1670709 0.67 PTGS2 (0.48) PTGS2BRD4BRD2BRD3CREBBP
SCHEMBL12800447 0.67 PTGS2 (0.41) PTGS2BRD4BRD2BRD3MAPT
SCHEMBL13195254 0.67 PTGS2 (0.41) PTGS2BRD4MAPT
SCHEMBL1670920 0.67 PTGS2 (0.47) PTGS2BRD4BRD2BRD3CREBBP

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
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed