SCHEMBL13632608

SCHEMBL13632608

Cc1cc(Nc2ccc(O)c(F)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.46
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ TNIK Q9UKE5 3/20 0.42
▸ SMARCA2 P51531 1/20 0.41
▸ SMARCA4 P51532 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDO2 P48775 1/20 0.37
▸ UHRF1 Q96T88 1/20 0.37
▸ SORT1 Q99523 3/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL13632517 0.81 GRM4 (0.46) GRM4TNIKSMARCA2SMARCA4KDM4E
SCHEMBL23999529 0.73 RAD52 (0.57) HDAC3HDAC1HDAC2HDAC6SMARCA2
SCHEMBL30180617 0.73 RAD52 (0.57) HDAC3HDAC1HDAC2HDAC6SMARCA2
SCHEMBL14300476 0.72 TNIK (0.43) GRM4TNIKKDM4EMAPTDYRK1A
SCHEMBL31494286 0.72 NPSR1 (0.53) HDAC3HDAC1HDAC2HDAC6SMARCA2
SCHEMBL7659797 0.72 NPSR1 (0.53) HDAC3HDAC1HDAC2HDAC6SMARCA2
SCHEMBL23999556 0.71 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6SMARCA2
SCHEMBL30210264 0.71 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6SMARCA2
SCHEMBL2486834 0.71 GRM4 (0.52) GRM4TNIKKDM4EMAPTNPC1
SCHEMBL24003836 0.71 NPC1 (0.56) HDAC3HDAC1HDAC2HDAC6SMARCA2

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-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 — — US disclosed
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