SCHEMBL19365841

SCHEMBL19365841

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1cncc(F)c1)C1CC[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ KDM1A O60341 6/20 0.35
▸ MAOB P27338 4/20 0.35
▸ MAOA P21397 3/20 0.34
▸ FYN P06241 2/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ KMO O15229 1/20 0.34
▸ UBE2M P61081 1/20 0.33
▸ DCUN1D1 Q96GG9 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ LCK P06239 2/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL19706132 0.92 TRPV3 (0.35) CRHR1MAP4K4DYRK1A
SCHEMBL19365509 0.91 PHGDH (0.38) PIK3CDPIK3CAPIK3CGMCHR1KDM1A
SCHEMBL19365506 0.90 UBE2M (0.41) FYNPOLBRAB9AUBE2MDCUN1D1
SCHEMBL19670603 0.89 POLB (0.43) PIK3CDPIK3CAPIK3CGMCHR1KDM1A
SCHEMBL19365547 0.89 ATR (0.35) MCHR1KDM1AMAOBFYNMAP4K4
SCHEMBL19670563 0.84 ALOX15 (0.44) PIK3CDPIK3CAPIK3CGKDM1AMAOB
SCHEMBL19365833 0.84 RHOA (0.43) PIK3CDPIK3CAPIK3CGFYNPOLB
SCHEMBL19365769 0.82 MPL (0.43) PIK3CDPIK3CAPIK3CGKDM1AMAOB
SCHEMBL19365643 0.82 KMO (0.36) PIK3CDPIK3CAPIK3CGMCHR1KDM1A
SCHEMBL19670557 0.81 PIK3CD (0.38) PIK3CDPIK3CAPIK3CGFYNKMO

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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