SCHEMBL8606933

SCHEMBL8606933

CC(C)([C]=O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KIF11 P52732 1/20 0.43
KCNA5 P22460 1/20 0.40
CYP17A1 P05093 1/20 0.39

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
SCHEMBL30589181 0.80 CYP19A1 (0.50) CYP19A1LMNACYP1A2CYP3A4CYP11B1
SCHEMBL29138449 0.80 CYP19A1 (0.50) CYP19A1LMNACYP1A2CYP3A4CYP11B1
SCHEMBL24608491 0.80 CYP19A1 (0.50) CYP19A1LMNACYP1A2CYP3A4CYP11B1
SCHEMBL30048933 0.80 CYP19A1 (0.50) CYP19A1LMNACYP1A2CYP3A4CYP11B1
SCHEMBL29583584 0.76 KIF11 (0.61) CYP19A1LMNACYP1A2CYP3A4CYP11B1
SCHEMBL74389 0.76 KIF11 (0.61) CYP19A1LMNACYP1A2CYP3A4CYP11B1
SCHEMBL3847927 0.74 KIF11 (0.41) CYP19A1LMNAKIF11CYP17A1
SCHEMBL27996644 0.74 CYP19A1 (0.57) CYP19A1LMNACYP1A2CYP3A4CYP11B1
SCHEMBL56734 0.73 MAPK1 (0.44) CYP1A2CYP3A4
SCHEMBL22714972 0.73 CYP19A1 (0.43) CYP19A1LMNACYP1A2CYP3A4CYP11B1

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
US-5807852-A Tricyclic amide and urea compounds useful for inhibition of G-protein function and for treatment of proliferative diseases SCHERING CORPORATION (US) 1998-09-15 US disclosed
US-5807853-A Tricyclic amide and urea compounds, useful inhibition of g-protein function and for treatment of proliferative diseases SCHERING CORPORATION (US) 1998-09-15 US disclosed
US-5719148-A FARNESYL-PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 1998-02-17 US disclosed
US-5714609-A FORMING CHEMICAL INTERMEDIATE BY NITRATING SUBSTITUTED BENZO/5,6/CYCLOHEPTA/1,2-B/PYRIDINE WITH TETRABUTYLAMMONIUM NITRATE AND TRIFLUOROACETIC ANHYDRIDE IN SOLVENT AT REDUCED TEMPERATURE SCHERING CORPORATION (US) 1998-02-03 US disclosed
US-5700806-A FARNESYL PROTEIN TRANSFERASE ENZYME INHIBITOR, ANTITUMOR AGENTS SCHERING CORPORATION (US) 1997-12-23 US disclosed
US-5696121-A 4-(3-BROMO 8-CHLORO-6,11-DIHYDRO-5H-BENZO(5,6)CYCLOHEPTA(1,2B)PYRIDINE-11-YL)-N-(3 -PYRIDINYL)-1-PIPERAZINECARBOXIDE; ANTITUMOR AGENT; FARNESYL PROTEIN TRANSFERASE INHIBITOR SCHERING CORPORATION (US) 1997-12-09 US disclosed