SCHEMBL8411271

SCHEMBL8411271

N#Cc1ccc(C(C=O)Cc2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CYP19A1 P11511 7/20 0.43
EPHX2 P34913 1/20 0.42
NSD2 O96028 2/20 0.42
VNN1 O95497 1/20 0.40
FPR1 P21462 4/20 0.40
FPR2 P25090 4/20 0.40
SLC1A2 P43004 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL28867116 0.79 EPHX1 (0.42) KDM4E
SCHEMBL8411267 0.77 NSD2 (0.49) MAOAMAOBCYP19A1EPHX2NSD2
SCHEMBL27545889 0.76 PDE4A (0.38) CYP19A1KDM4E
SCHEMBL25772910 0.74 CA2 (0.39) CYP19A1EPHX2KDM4ECYP11B1CYP11B2
SCHEMBL27516633 0.72 CNR2 (0.38) MAOAMAOB
SCHEMBL5751018 0.72 MAOA (0.44) MAOAMAOBCYP19A1EPHX2NSD2
SCHEMBL5751287 0.71 EPHX2 (0.47) MAOAMAOBEPHX2NSD2VNN1
SCHEMBL7935598 0.70 MAOA (0.61) MAOAMAOBCYP19A1NSD2VNN1
SCHEMBL14542515 0.70 LOXL2 (0.48) CYP19A1KCNH2CYP11B1CYP11B2
SCHEMBL1972799 0.70 LOXL2 (0.48) CYP19A1KCNH2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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