SCHEMBL8103584

SCHEMBL8103584

Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@](C)(Cc3ccc(C#N)cc3)c3cnc[nH]3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL8104386 1.00 L3MBTL1 (0.53) L3MBTL1TSHRNPSR1KMT2AALDH1A1
SCHEMBL8101513 0.93 L3MBTL1 (0.46) L3MBTL1TSHRNPSR1ALDH1A1GAA
SCHEMBL8097865 0.90 L3MBTL1 (0.46) L3MBTL1TSHRNPSR1KMT2AALDH1A1
SCHEMBL7513044 0.90 ATM (0.48) L3MBTL1TSHRNPSR1KMT2AALDH1A1
SCHEMBL8088954 0.88 ATM (0.46) L3MBTL1TSHRNPSR1KMT2AALDH1A1
SCHEMBL8105135 0.85 L3MBTL1 (0.45) L3MBTL1TSHRNPSR1GAASMN1; SMN2
SCHEMBL8103798 0.82 L3MBTL1 (0.39) L3MBTL1TSHRNPSR1KMT2AALDH1A1
SCHEMBL8095905 0.82 GSK3B (0.38) L3MBTL1TSHRNPSR1ATM
SCHEMBL8097933 0.82 GPBAR1 (0.42) GAA
SCHEMBL8098510 0.81 SMN1; SMN2 (0.42) L3MBTL1TSHRKMT2ASMN1; SMN2LMNA

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 7 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
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