SCHEMBL19670421

SCHEMBL19670421

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1ccncn1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.44
▸ KMO O15229 2/20 0.39
▸ CPT2 P23786 1/20 0.39
▸ CPT1A P50416 1/20 0.39
▸ CPT1B Q92523 1/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ KDM1A O60341 3/20 0.36
▸ BRAF P15056 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL21841343 0.91 KMO (0.41) KMOMCHR1POLBRAB9APIK3CD
SCHEMBL19670601 0.90 POLB (0.41) KMOMCHR1POLBRAB9APIK3CD
SCHEMBL19365769 0.90 MPL (0.43) MPLKMOCPT2CPT1ACPT1B
SCHEMBL19364807 0.89 ATR (0.35) MPLPOLBRAB9AKDRCHRNB2
SCHEMBL19703381 0.88 GRM5 (0.42) MPLKMOMCHR1MEN1ALDH1A1
SCHEMBL19365636 0.87 POLB (0.46) KMOCPT2CPT1ACPT1BMCHR1
SCHEMBL19670247 0.87 PTGS1 (0.39) KMOMCHR1POLBRAB9APIK3CD
SCHEMBL19365606 0.85 ATR (0.48) CPT2CPT1ACPT1BCHRNB2CHRNB4
SCHEMBL19365569 0.85 MCHR1 (0.41) CPT2CPT1ACPT1BMCHR1ATR
SCHEMBL19365521 0.85 POLB (0.39) KMOMCHR1POLBRAB9APIK3CD

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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