SCHEMBL3519219

SCHEMBL3519219

N#Cc1ccc(C(c2ccc(Cl)cc2)c2ncc[nH]2)cc1Oc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.45
FNTB P49356 8/20 0.45
PGGT1B P53609 8/20 0.45
CYP19A1 P11511 2/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
AR P10275 1/20 0.39
SLC22A12 Q96S37 1/20 0.37
RHEB Q15382 2/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL8132652 0.77 S1PR3 (0.43)
SCHEMBL3499887 0.72 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1
SCHEMBL5552216 0.69 FNTA (0.55) FNTAFNTBPGGT1B
SCHEMBL7984102 0.68 AR (0.56) FNTAFNTBPGGT1BCYP19A1AR
Trifluoroacetic Acid SCHEMBL7980448 0.66 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1CNR1
SCHEMBL2128801 0.66 CYP19A1 (0.50) CYP19A1
SCHEMBL6812607 0.66 AR (0.63) FNTAFNTBPGGT1BCYP19A1AR
SCHEMBL6812604 0.66 FNTA (0.47) FNTAFNTBPGGT1BCYP19A1CNR1
SCHEMBL23830071 0.66 AR (0.53) FNTAFNTBPGGT1BCYP19A1CNR1
SCHEMBL30132665 0.65 CYP19A1 (0.51) FNTAFNTBPGGT1BCYP19A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO claimed
EP-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP disclosed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 WO disclosed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO disclosed