SCHEMBL6992541

SCHEMBL6992541

CNC(=S)c1cc(=O)[nH]c2ccc(C(=O)c3ccc(Cl)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
CNR1 P21554 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
UBASH3B Q8TF42 1/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
NR4A1 P22736 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL5756770 0.82 KDM4E (0.53) KMT2AMEN1LMNACNR1KDM4E
SCHEMBL5758311 0.78 LMNA (0.47) KMT2AMEN1LMNACNR1UBASH3B
SCHEMBL17025452 0.77 KDM4E (0.49) KMT2AMEN1LMNACNR1KDM4E
SCHEMBL5782115 0.75 KMT2A (0.66) KMT2AMEN1NPC1KDM4EALDH1A1
Water SCHEMBL5782423 0.74 KMT2A (0.51) KMT2AMEN1NPC1KDM4EALDH1A1
SCHEMBL1538310 0.71 MEN1 (0.59) KMT2AMEN1LMNAKDM4EUBASH3B
SCHEMBL5780432 0.71 RXFP1 (0.52) KMT2AMEN1LMNACNR1L3MBTL1
SCHEMBL5756005 0.69 MEN1 (0.44) KMT2AMEN1LMNACNR1UBASH3B
SCHEMBL5781874 0.69 RHEB (0.48) KMT2AMEN1LMNANPC1L3MBTL1
SCHEMBL5514658 0.68 MAPT (0.53) KMT2AMEN1NPC1CNR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351954-A1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-15 EP disclosed
WO-2002051834-A1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-07-04 WO disclosed