SCHEMBL8103019

SCHEMBL8103019

N#Cc1ccc(C(C(=O)CCc2ccc(F)cc2)n2cncn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.65
CYP3A4 P08684 1/20 0.49
CYP11B1 P15538 1/20 0.49
TSHR P16473 1/20 0.49
CYP11B2 P19099 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC1A2 P43004 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL8104838 0.79 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL11530805 0.78 CYP19A1 (0.47) CYP19A1CYP3A4CYP2C19
SCHEMBL8104979 0.77 CYP19A1 (0.72) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL8104836 0.77 CYP19A1 (0.66) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL8102936 0.77 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL13285157 0.75 CYP19A1 (0.85) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Finrozole SCHEMBL1649445 0.75 CYP19A1 (0.62) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Finrozole SCHEMBL1658815 0.75 CYP19A1 (0.62) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Finrozole SCHEMBL2138489 0.75 CYP19A1 (0.62) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL8095377 0.72 CYP19A1 (0.68) CYP19A1CYP3A4CYP11B1TSHRCYP11B2

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 claimed
WO-1994013645-A1 NOVEL SELECTIVE AROMATASE INHIBITING COMPOUNDS Orion-Yhtymä Oy (FI) 1994-06-23 WO claimed
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-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