SCHEMBL21204917

SCHEMBL21204917

Cc1nn(CC2CC2)c2cc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.56
▸ KDM4C Q9H3R0 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GRM2 Q14416 1/20 0.45
▸ SLC22A12 Q96S37 3/20 0.42
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAT2A P31153 2/20 0.39
▸ CRHR1 P34998 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ ALOX5 P09917 1/20 0.38

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
SCHEMBL19597220 0.90 KDM4C (0.47) KMOKDM4CPOLBKMT2AGRM2
SCHEMBL18731894 0.85 MAPT (0.43) KMOKDM4CPOLBKMT2AGRM2
SCHEMBL17678224 0.82 GRM2 (0.47) KMOKMT2AGRM2SLC22A12ADORA2A
SCHEMBL17610157 0.82 KDM4C (0.46) KMOKDM4CPOLBKMT2AGRM2
SCHEMBL14752235 0.80 ADORA2A (0.62) KMOKDM4CSLC22A12ADORA2AADORA2B
SCHEMBL19335054 0.77 KDM4C (0.47) KDM4CPOLBKMT2AGRM2HTR2A
SCHEMBL19597250 0.76 KDM4C (0.50) KDM4CPOLBKMT2AGRM2HTR2C
SCHEMBL21204911 0.75 KMO (0.57) KMOKDM4CSLC22A12ADORA2AADORA2B
SCHEMBL15802435 0.75 KDM4C (0.47) KDM4CPOLBKMT2AGRM2HTR2A
SCHEMBL18982536 0.74 CTSK (0.41) KDM4CGRM2HTR2AHTR2CSLC6A4

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
EP-3194387-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-07-31 — — EP disclosed
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