SCHEMBL16804451

SCHEMBL16804451

CC1CCN(c2cnc3c(ccn3Cc3ccc(C(N)=O)cc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 1/20 0.41
▸ METAP2 P50579 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ CTPS1 P17812 1/20 0.39
▸ NR1I2 O75469 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ STAT6 P42226 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ CXCR3 P49682 1/20 0.36

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
SCHEMBL16804404 0.88 METAP2 (0.44) METAP2GAAALDH1A1LMNA
SCHEMBL16804205 0.88 HDAC6 (0.45) METAP2
SCHEMBL16804456 0.86 STAT6 (0.46) GLO1STAT6
SCHEMBL16804452 0.85 PDE1B (0.42) GLO1METAP2GRM2GAAALDH1A1
SCHEMBL16794784 0.76 HRH4 (0.46) METAP2USP2STAT6ALDH1A1
SCHEMBL18109083 0.76 HDAC6 (0.43) —
SCHEMBL16804373 0.75 STAT6 (0.46) METAP2GAASTAT6ALDH1A1CSF1R
SCHEMBL16804195 0.75 METAP2 (0.45) METAP2GAASTAT6LMNA
SCHEMBL16804317 0.74 CKS1B (0.43) METAP2
SCHEMBL16804277 0.74 HDAC6 (0.52) STAT6

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-2015087151-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-06-18 — — WO disclosed
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