SCHEMBL3516602

SCHEMBL3516602

Cc1ccccc1Nc1cccc(Oc2cc(Cc3ncc[nH]3)ccc2C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.49
FNTB P49356 14/20 0.49
PGGT1B P53609 14/20 0.49
AR P10275 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CYP19A1 P11511 1/20 0.37
RAF1 P04049 1/20 0.37
MAP2K1 Q02750 1/20 0.37

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
SCHEMBL5552124 0.90 FNTA (0.59) FNTAFNTBPGGT1BTAAR1CYP19A1
SCHEMBL3518730 0.83 FNTA (0.56) FNTAFNTBPGGT1BTAAR1CYP19A1
SCHEMBL5548771 0.79 FNTA (0.56) FNTAFNTBPGGT1BARTAAR1
SCHEMBL3497955 0.78 FNTA (0.80) FNTAFNTBPGGT1B
SCHEMBL8127231 0.76 FNTA (0.47) FNTAFNTBPGGT1BCYP19A1
SCHEMBL8130724 0.74 TAAR1 (0.38) FNTAFNTBPGGT1BTAAR1
SCHEMBL5553357 0.74 FNTA (0.42) FNTAFNTBPGGT1BCYP19A1
SCHEMBL3516306 0.74 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL3515256 0.74 FNTA (0.46) FNTAFNTBPGGT1BTAAR1CYP19A1
SCHEMBL3518902 0.73 CYP19A1 (0.40) FNTAFNTBPGGT1BTAAR1CYP19A1

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 10 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-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP claimed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 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
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP disclosed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 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