SCHEMBL9202149

SCHEMBL9202149

CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccccc2OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
LMNA P02545 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 3/20 0.55
NPC1 O15118 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
BCHE P06276 1/20 0.53
RAB9A P51151 1/20 0.53
MAOB P27338 4/20 0.53
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
CYP1A1 P04798 2/20 0.49
CYP1B1 Q16678 2/20 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
SCHEMBL9202156 1.00 MAPT (0.55) MAPTLMNACYP1A2CYP2D6NPC1
SCHEMBL7184850 0.87 ABCG2 (0.58) MAPTLMNACYP1A2CYP2D6NPC1
SCHEMBL7184854 0.87 ABCG2 (0.58) MAPTLMNACYP1A2CYP2D6NPC1
SCHEMBL9207333 0.85 MAPT (0.74) MAPTLMNACYP1A2CYP2D6NPC1
SCHEMBL9207320 0.85 MAPT (0.74) MAPTLMNACYP1A2CYP2D6NPC1
SCHEMBL7186548 0.84 TNFRSF1A (0.53) MAPTLMNANPC1HPGDRAB9A
SCHEMBL9199131 0.84 ABCG2 (0.45) MAPTLMNAATMSMN1; SMN2CYP1A1
SCHEMBL7186552 0.84 TNFRSF1A (0.53) MAPTLMNANPC1HPGDRAB9A
SCHEMBL9203891 0.82 MAPT (0.73) MAPTLMNACYP1A2CYP2D6NPC1
SCHEMBL9203900 0.82 MAPT (0.73) MAPTLMNACYP1A2CYP2D6NPC1

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