SCHEMBL8076014

SCHEMBL8076014

Cc1nc(-c2cccc(CC(=O)N3CCN(S(=O)(=O)C(C)C)CC3)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.46
LMNA P02545 4/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
GRM5 P41594 2/20 0.42
DAO P14920 1/20 0.42
MET P08581 1/20 0.42
THRB P10828 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
CTSD P07339 1/20 0.40

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
SCHEMBL7074802 0.88 HDAC4 (0.53) DGAT1LMNAMAPTALDH1A1TSHR
SCHEMBL8080502 0.83 LMNA (0.44) DGAT1LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL8076011 0.82 LMNA (0.51) DGAT1LMNAMAPTALDH1A1POLB
SCHEMBL7069910 0.77 MGLL (0.52) DGAT1LMNATSHRTHRBHDAC4
SCHEMBL7074627 0.77 TSHR (0.57) DGAT1LMNAMAPTALDH1A1TSHR
SCHEMBL7074862 0.76 DGAT1 (0.53) DGAT1LMNAMAPTALDH1A1TSHR
SCHEMBL7069975 0.74 GAA (0.60) DGAT1LMNAMAPTALDH1A1TSHR
SCHEMBL12747582 0.74 L3MBTL1 (0.62) MAPTL3MBTL1TSHRPOLBTP53
SCHEMBL7075151 0.73 HDAC4 (0.49) DGAT1LMNAMAPTALDH1A1THRB
SCHEMBL7070017 0.73 DGAT1 (0.50) DGAT1LMNAMAPTALDH1A1TSHR

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-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed