SCHEMBL8097852

SCHEMBL8097852

CC(Cc1ccc(C#N)cc1)(NC(=O)C1CCCN(Cc2cccc(Cl)c2)C1)c1cnc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
KCNH2 Q12809 2/20 0.42
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
PGGT1B P53609 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
ACKR3 P25106 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
ROCK2 O75116 1/20 0.38
CCR2 P41597 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL8088938 1.00 KDM4E (0.46) KDM4EKMT2AMEN1HTTL3MBTL1
SCHEMBL8098292 0.94 ATM (0.38) KDM4EKMT2AMEN1HTTLMNA
SCHEMBL8095399 0.93 CYP3A4 (0.44) KDM4EKMT2AMEN1HTTL3MBTL1
SCHEMBL8088210 0.91 TSHR (0.40) KMT2AMEN1HTTCYP3A4TSHR
SCHEMBL8095353 0.90 KMT2A (0.48) KMT2AMEN1ACKR3
SCHEMBL8095367 0.90 KDM4E (0.45) KDM4EKMT2AMEN1POLBCYP3A4
SCHEMBL8088441 0.88 ALDH1A1 (0.43) KDM4EKMT2AMEN1HTTFNTA
SCHEMBL8103823 0.88 FNTA (0.43) KDM4EKMT2AMEN1HTTFNTA
SCHEMBL8097458 0.88 ALOX12 (0.36) KDM4EKMT2AMEN1HTTLMNA
SCHEMBL8097434 0.86 KCNH2 (0.48) KMT2AMEN1KCNH2FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP claimed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP claimed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO claimed
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed