SCHEMBL6525810

SCHEMBL6525810

CCC(=O)Nc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
GAA P10253 1/20 0.57
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NAMPT P43490 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.50
F10 P00742 4/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL221944 0.86 F10 (0.48) MAPTGAARAB9AALDH1A1HPGD
SCHEMBL22353066 0.86 MEN1 (0.52) MAPTGAARAB9AALDH1A1HTT
SCHEMBL223375 0.85 TSHR (0.56) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL8325725 0.83 MAPT (0.55) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL5428908 0.82 F10 (0.60) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL1379938 0.82 F10 (0.51) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1379979 0.80 F10 (0.47) MAPTALDH1A1NPC1KMT2ASMN1; SMN2
SCHEMBL1382785 0.80 F10 (0.49) GAAALDH1A1MEN1KMT2ANAMPT
SCHEMBL1377941 0.79 CA1 (0.48) MEN1KMT2AF10TSHRCASP7
SCHEMBL1379531 0.78 F10 (0.52) MAPTGAARAB9AALDH1A1HPGD

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-1585730-A1 CARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2005-10-19 EP disclosed
WO-2004065369-A1 CARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2004-08-05 WO disclosed