SCHEMBL19670601

SCHEMBL19670601

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1ccccn1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMO O15229 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PHGDH O43175 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ KDM1A O60341 3/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 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 0.99 KMO (0.41) POLBRAB9AKMOMCHR1ALDH1A1
SCHEMBL19670421 0.90 MPL (0.44) POLBRAB9AKMOMCHR1ALDH1A1
SCHEMBL19365521 0.90 POLB (0.39) POLBRAB9AKMOMCHR1ALDH1A1
SCHEMBL19365471 0.90 ATR (0.36) POLBRAB9AALDH1A1
SCHEMBL19670247 0.88 PTGS1 (0.39) POLBRAB9AKMOMCHR1ALDH1A1
SCHEMBL19365710 0.88 CNR2 (0.52) KMOMCHR1ALDH1A1CNR2
SCHEMBL19365636 0.87 POLB (0.46) POLBRAB9AKMOMCHR1ALDH1A1
SCHEMBL19365577 0.86 GRM5 (0.38) ALDH1A1KMT2ACNR2
SCHEMBL19364891 0.85 MCHR1 (0.42) MCHR1ALDH1A1CNR2
SCHEMBL19365441 0.85 ATR (0.48) POLBRAB9AKMT2A

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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