SCHEMBL19365722

SCHEMBL19365722

NCc1ccc(NC(=O)N(c2nc(-c3cccc(C(F)(F)F)c3)ccc2N)C2CCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ DCUN1D1 Q96GG9 4/20 0.39
▸ VCP P55072 1/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ UBE2M P61081 3/20 0.37
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ PLAT P00750 1/20 0.37

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
SCHEMBL19365306 0.98 POLB (0.44) POLBRAB9AMCHR1HDAC1KIF11
SCHEMBL19365784 0.92 POLB (0.47) POLBRAB9AMCHR1DCUN1D1UBE2M
SCHEMBL19365636 0.88 POLB (0.46) POLBRAB9AMCHR1KIF11CA2
SCHEMBL19365571 0.86 MCHR1 (0.42) POLBRAB9AMCHR1KIF11CA2
SCHEMBL19706137 0.86 MCHR1 (0.43) POLBRAB9AMCHR1KIF11CA2
SCHEMBL19670560 0.85 POLB (0.47) POLBRAB9AMCHR1CA2CA9
SCHEMBL19365519 0.84 POLB (0.46) POLBRAB9AMCHR1HDAC1KIF11
SCHEMBL19706296 0.83 POLB (0.39) POLBRAB9AMCHR1HDAC1CA2
SCHEMBL19670603 0.83 POLB (0.43) POLBRAB9AMCHR1KIF11CA2
SCHEMBL19706120 0.83 POLB (0.45) POLBRAB9AMCHR1KIF11CA2

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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