SCHEMBL19669952

SCHEMBL19669952

Cc1ccncc1-c1ccc(N)c(N(C(=O)Nc2cccnc2)C2CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ ABL1 P00519 3/20 0.40
▸ MAP4K1 Q92918 5/20 0.38
▸ NOTUM Q6P988 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL19670470 0.88 MAP4K1 (0.38) ABL1MAP4K1
SCHEMBL19669975 0.87 MAP4K1 (0.40) ABL1MAP4K1
SCHEMBL19365604 0.87 HDAC1 (0.46) POLBABL1NAMPTSMN1; SMN2ATM
SCHEMBL19670239 0.87 MAP4K1 (0.41) ABL1MAP4K1
SCHEMBL19670417 0.86 MAP4K1 (0.42) ABL1MAP4K1
SCHEMBL19669983 0.86 HDAC1 (0.42) POLBABL1NOTUMNAMPTSMN1; SMN2
SCHEMBL19670526 0.85 MAP4K1 (0.41) ABL1MAP4K1
SCHEMBL19365726 0.84 ATM (0.40) POLBMAP4K1NOTUMNAMPTSMN1; SMN2
SCHEMBL19670509 0.84 HDAC1 (0.41) POLBABL1NAMPTSMN1; SMN2ATM
SCHEMBL19670415 0.83 ABL1 (0.46) ABL1MAP4K1SMN1; SMN2ALDH1A1

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
Send feedback