SCHEMBL8110686

SCHEMBL8110686

N#Cc1ccc(C(=O)CCc2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.56
FFAR1 O14842 2/20 0.54
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
GSK3B P49841 1/20 0.51
VNN1 O95497 1/20 0.50
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CYP19A1 P11511 3/20 0.46
HTR7 P34969 1/20 0.46
EPHX2 P34913 1/20 0.46
PTPN1 P18031 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL10671478 0.92 GSK3B (0.59) NSD2FFAR1RAB9ANPC1GSK3B
SCHEMBL10559396 0.87 NPC1 (0.67) FFAR1RAB9ANPC1SLC5A1SLC5A2
SCHEMBL9641209 0.84 HSD11B1 (0.56) FFAR1RAB9ANPC1GSK3BMAOA
SCHEMBL8411540 0.83 FFAR1 (0.51) NSD2FFAR1VNN1MAOAMAOB
SCHEMBL19367865 0.82 GSK3B (0.59) NSD2RAB9ANPC1GSK3BVNN1
SCHEMBL3738077 0.80 FFAR1 (0.46) NSD2FFAR1RAB9AGSK3BVNN1
SCHEMBL6202254 0.79 TP53 (0.59) RAB9ANPC1GSK3BSLC5A1SLC5A2
SCHEMBL11612967 0.79 HTR7 (0.59) FFAR1RAB9ANPC1SLC5A1SLC5A2
SCHEMBL20262696 0.79 NPC1 (0.56) FFAR1RAB9ANPC1GSK3BSLC5A1
SCHEMBL6158144 0.79 NPC1 (0.56) FFAR1RAB9ANPC1SLC5A1SLC5A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674626-B1 SELECTIVE AROMATASE INHIBITING COMPOUNDS RISTO ARVO SAKARI LAMMINTAUSTA (FI) 2000-07-19 EP disclosed
US-5962495-A ESTROGEN SENSITIVE DISEASES; BREAST CANCER; PROSTATE TUMORS RISTO ARVO SAKARI LAMMINTAUSTA (FI) 1999-10-05 US disclosed
US-5703109-A CYANOPHENYL-1,2,4-TRIAZOLE DERIVATIVE Oy, Orion-yhtyma (FI) 1997-12-30 US disclosed
EP-0476944-B1 Aromatase inhibiting 4(5)-imidazoles ORION YHTYMAE OY (FI) 1995-11-15 EP disclosed
EP-0674626-A1 NOVEL SELECTIVE AROMATASE INHIBITING COMPOUNDS ORION-YHTYMÄ OY (FI) 1995-10-04 EP disclosed
WO-1994013645-A1 NOVEL SELECTIVE AROMATASE INHIBITING COMPOUNDS Orion-Yhtymä Oy (FI) 1994-06-23 WO disclosed
EP-0476944-A1 Aromatase inhibiting 4(5)-imidazoles ORION-YHTYMÀ„ OY (FI) 1992-03-25 EP disclosed