SCHEMBL7837588

SCHEMBL7837588

Cc1ncc(C(Cc2ccc(C#N)cc2)c2ccc(N3CCNC(=O)C3=O)cc2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
DPP4 P27487 1/20 0.34
GRM2 Q14416 1/20 0.33
EP300 Q09472 4/20 0.32
TRIM24 O15164 1/20 0.32
CYP19A1 P11511 3/20 0.32
NR1H4 Q96RI1 1/20 0.32
PGGT1B P53609 1/20 0.31
CSF1R P07333 1/20 0.31
KIT P10721 1/20 0.31
FLT3 P36888 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
PANK3 Q9H999 1/20 0.31

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
SCHEMBL7837592 0.75 FNTA (0.45) FNTAFNTBEP300NR1H4PGGT1B
Hydrochloric Acid SCHEMBL7834494 0.74 FNTA (0.44) FNTAFNTBEP300NR1H4PGGT1B
SCHEMBL6913123 0.71 TRIM24 (0.35) FNTAFNTBDPP4TRIM24CYP19A1
SCHEMBL7668376 0.68 SLC6A4 (0.44) TRIM24CYP19A1TRIM33
SCHEMBL7826547 0.66 CYP19A1 (0.46) FNTAFNTBCYP19A1PGGT1B
SCHEMBL444433 0.64 FNTA (0.50) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8161653 0.64 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL7577164 0.63 BRD4 (0.38) TRIM24CYP19A1KDM4EGAAMAPT
SCHEMBL2713004 0.62 KDM4E (0.49) GRM2KDM4E
SCHEMBL6224361 0.61 NPC1 (0.50) KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891350-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-01-17 EP disclosed
EP-0891350-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036889-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed