SCHEMBL19670509

SCHEMBL19670509

Cc1cncc(-c2ccc(N)c(N(C(=O)Nc3cccnc3)C3CCCCC3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ PRMT5 O14744 5/20 0.40
▸ WDR77 Q9BQA1 5/20 0.40
▸ POLB P06746 1/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ GBA1 P04062 3/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL19365604 0.91 HDAC1 (0.46) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19365778 0.88 HDAC3 (0.39) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19365478 0.88 HDAC3 (0.40) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19670240 0.88 PRMT5 (0.37) HDAC2PRMT5WDR77ATM
SCHEMBL19669983 0.88 HDAC1 (0.42) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19670372 0.86 HDAC1 (0.36) HDAC1HDAC2HDAC3PRMT5WDR77
SCHEMBL19670409 0.86 PRMT5 (0.42) PRMT5WDR77KDM4E
SCHEMBL19365556 0.86 UBE2M (0.38) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19670630 0.86 HDAC1 (0.40) HDAC1HDAC2HDAC3PRMT5WDR77
SCHEMBL19365728 0.85 HDAC2 (0.43) HDAC1HDAC2HDAC3POLBABL1

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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