SCHEMBL9207333

SCHEMBL9207333

COc1ccccc1C=CC(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.74
NPC1 O15118 3/20 0.74
LMNA P02545 2/20 0.74
RAB9A P51151 2/20 0.74
BCHE P06276 1/20 0.74
MAOB P27338 3/20 0.72
CYP1A2 P05177 3/20 0.71
CYP2D6 P10635 3/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C9 P11712 1/20 0.71
HPGD P15428 1/20 0.71
CYP2C19 P33261 1/20 0.71
RECQL P46063 1/20 0.71
GPR55 Q9Y2T6 1/20 0.71
NFE2L2 Q16236 3/20 0.68
KEAP1 Q14145 1/20 0.68
CYP1A1 P04798 2/20 0.67
CYP1B1 Q16678 2/20 0.67
CAPN1 P07384 1/20 0.61
CTSL P07711 1/20 0.61

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
SCHEMBL9207320 1.00 MAPT (0.74) MAPTNPC1LMNARAB9ABCHE
SCHEMBL7103789 0.86 MAPT (0.74) MAPTNPC1LMNARAB9ABCHE
SCHEMBL9202149 0.85 MAPT (0.55) MAPTNPC1LMNARAB9ABCHE
SCHEMBL9204167 0.85 MAPT (0.53) MAPTNPC1LMNARAB9ABCHE
SCHEMBL9202156 0.85 MAPT (0.55) MAPTNPC1LMNARAB9ABCHE
SCHEMBL9203900 0.85 MAPT (0.73) MAPTNPC1LMNARAB9ABCHE
SCHEMBL9204172 0.85 MAPT (0.53) MAPTNPC1LMNARAB9ABCHE
SCHEMBL9203891 0.85 MAPT (0.73) MAPTNPC1LMNARAB9ABCHE
SCHEMBL1723179 0.85 MAPT (1.00) MAPTNPC1LMNARAB9ABCHE
SCHEMBL1723180 0.85 MAPT (1.00) MAPTNPC1LMNARAB9ABCHE

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-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed