SCHEMBL7010110

SCHEMBL7010110

CCOc1ccc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3(C)C)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
NR4A1 P22736 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TP53 P04637 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL7013043 0.90 KCNQ3 (0.48) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7012972 0.89 KMT2A (0.43) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7008578 0.86 MAPT (0.56) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7012423 0.83 MAPT (0.55) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7654514 0.83 MAPT (0.56) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7009245 0.81 MEN1 (0.42) MAPTSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL7007120 0.81 NAMPT (0.46) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL7011120 0.81 NAMPT (0.46) MAPTSMN1; SMN2MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL7847160 0.81 MEN1 (0.42) MAPTSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL7010421 0.80 KCNQ3 (0.47) MAPTSMN1; SMN2HSD17B10ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed