SCHEMBL19670409

SCHEMBL19670409

Cc1cncc(-c2ccc(N)c(N(C(=O)Nc3ccccn3)C3CCCCC3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ TSHR P16473 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GRM5 P41594 6/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ATR Q13535 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ LCK P06239 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
SCHEMBL19670630 0.91 HDAC1 (0.40) PRMT5WDR77NPSR1KDM4ELCK
SCHEMBL19669761 0.91 PRMT5 (0.36) PRMT5WDR77ATR
SCHEMBL19670372 0.90 HDAC1 (0.36) PRMT5WDR77
SCHEMBL19365309 0.90 CNR2 (0.40) GRM5ATRLMNAKDM4E
SCHEMBL19364834 0.90 ALDH1A1 (0.39) ATR
SCHEMBL19364825 0.88 ATR (0.42) GRM5ATRKDM4ELCK
SCHEMBL19365441 0.88 ATR (0.48) TSHRNPSR1KMT2ATDP1ATR
SCHEMBL19365471 0.88 ATR (0.36) GRM5ATRLMNALCK
SCHEMBL19706240 0.88 WNT1 (0.40) GRM5KMT2AMEN1ATRLMNA
SCHEMBL19365583 0.88 ABL1 (0.38) GRM5ATR

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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