SCHEMBL9203891

SCHEMBL9203891

CCOc1ccccc1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.73
LMNA P02545 5/20 0.73
ATM Q13315 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
KEAP1 Q14145 2/20 0.61
NFE2L2 Q16236 2/20 0.61
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
BCHE P06276 1/20 0.53
MAOB P27338 4/20 0.53
AR P10275 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
MAOA P21397 1/20 0.50

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
SCHEMBL9203900 1.00 MAPT (0.73) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL9204757 0.91 MAPT (0.60) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL9203813 0.90 LMNA (0.59) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL8330993 0.86 MAPT (0.80) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL8330997 0.86 MAPT (0.80) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL7191503 0.86 ABCG2 (0.57) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL7191499 0.86 ABCG2 (0.57) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL9207333 0.85 MAPT (0.74) MAPTLMNAATMKEAP1NFE2L2
SCHEMBL9207320 0.85 MAPT (0.74) MAPTLMNAATMKEAP1NFE2L2
SCHEMBL13940798 0.84 MAPT (0.76) MAPTLMNAATMSMN1; SMN2KEAP1

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