SCHEMBL1679935

SCHEMBL1679935

COc1c(C)nn(C)c(=O)c1-c1cc(C)no1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 4/20 0.35
▸ MAPT P10636 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ CDK8 P49336 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31

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
SCHEMBL1679897 0.80 CSF1R (0.36) CSF1RKMT2AEGLN2CDK8ACVR1
SCHEMBL469902 0.70 CRHR1 (0.34) MAPTTP53CDK8ACVR1POLB
SCHEMBL513464 0.69 ESRRA (0.36) MAPTKMT2ATP53MEN1CDK8
SCHEMBL12906309 0.69 CDK8 (0.42) TP53CDK8ACVR1KDM4EALDH1A1
SCHEMBL513319 0.69 NMT1 (0.36) KMT2ACDK8ACVR1ALDH1A1
SCHEMBL20695057 0.68 POLB (0.33) MAPTKMT2AMEN1CDK8ACVR1
SCHEMBL513475 0.65 NMT1 (0.33) MAPTCDK8ACVR1KDM4EALDH1A1
SCHEMBL18797100 0.65 CYP3A4 (0.34) MAPTPOLBKDM4EALDH1A1
SCHEMBL22500189 0.65 MAPT (0.38) MAPTKMT2ATP53MEN1CDK8
SCHEMBL22499974 0.65 MAPK8 (0.39) CSF1RMAPTKMT2AMEN1KDM4E

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-2011045271-A1 HERBICIDALLY ACTIVE, HETEROCYCLYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-04-21 — — WO disclosed
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