SCHEMBL7841823

SCHEMBL7841823

CCOC(=O)C1(Cc2cc(C)nc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7844896 0.83 ALDH1A1 (0.48) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL8878617 0.82 KMT2A (0.65) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL1222109 0.82 MEN1 (0.52) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL22493598 0.80 MEN1 (0.48) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL965515 0.80 LMNA (0.62) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL20511878 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL8185447 0.79 KMT2A (0.57) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL18033340 0.78 OPRM1 (0.47)
SCHEMBL3355644 0.78 KMT2A (0.52) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL15549442 0.78 FPR2 (0.53) MEN1KMT2AALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed