SCHEMBL19670603

SCHEMBL19670603

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1cncc(F)c1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MCHR1 Q99705 1/20 0.41
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ KDM1A O60341 4/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ DCUN1D1 Q96GG9 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34

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
SCHEMBL19365429 0.92 POLB (0.36) POLBRAB9AMCHR1DCUN1D1UBE2M
SCHEMBL19365519 0.89 POLB (0.46) POLBRAB9AMCHR1EPHX2MEN1
SCHEMBL19365841 0.89 PIK3CD (0.36) POLBRAB9AMCHR1PIK3CDPIK3CA
SCHEMBL19365728 0.88 HDAC2 (0.43) POLB
SCHEMBL19365636 0.88 POLB (0.46) POLBRAB9AMCHR1PIK3CDPIK3CA
SCHEMBL19365379 0.87 HDAC2 (0.44) MCHR1
SCHEMBL19365306 0.85 POLB (0.44) POLBRAB9AMCHR1EPHX2KDM1A
SCHEMBL19670247 0.84 PTGS1 (0.39) POLBRAB9AMCHR1PIK3CDPIK3CA
SCHEMBL19670240 0.84 PRMT5 (0.37) TRPV1
SCHEMBL19670400 0.84 ATR (0.45) JAK2

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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