SCHEMBL13683131

SCHEMBL13683131

Cc1cc(C(=O)c2nn(C)c(C)c2F)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.42
▸ PROKR1 Q8TCW9 2/20 0.35
▸ JMJD6 Q6NYC1 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ TTR P02766 1/20 0.33
▸ CCR9 P51686 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ XIAP P98170 1/20 0.33
▸ UHRF1 Q96T88 1/20 0.33
▸ KCNT1 Q5JUK3 1/20 0.32

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
SCHEMBL16200404 0.83 POLB (0.43) GRM5PROKR1JMJD6POLBKDM4E
SCHEMBL13683139 0.80 GRM5 (0.35) GRM5PROKR1JMJD6POLBKDM4E
SCHEMBL13683137 0.79 HDAC1 (0.43) POLBKDM4EALDH1A1TTRHTR2A
SCHEMBL13184257 0.78 ALDH1A1 (0.44) KDM4EALDH1A1GAAALPL
SCHEMBL13184426 0.78 GRM5 (0.37) GRM5PROKR1JMJD6POLBKDM4E
SCHEMBL13184263 0.75 BAZ2B (0.47) PROKR1JMJD6POLBKDM4EALDH1A1
SCHEMBL3356107 0.75 UHRF1 (0.50) PROKR1KDM4EALDH1A1CCR9KDM5A
SCHEMBL13184401 0.74 KDM4E (0.39) GRM5PROKR1JMJD6POLBKDM4E
SCHEMBL13683133 0.73 KMT2A (0.45) KDM4EALDH1A1GAAGSK3B
SCHEMBL13184265 0.69 KDM4E (0.39) PROKR1JMJD6POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 — — EP disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 — — US disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 — — US disclosed
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