SCHEMBL9533601

SCHEMBL9533601

CCCCNC(=O)Oc1c(-c2ccccc2Cl)noc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP2C19 P33261 2/20 0.50
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 2/20 0.48
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
APEX1 P27695 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
SCHEMBL9536660 0.83 GPBAR1 (0.47) MAPTALDH1A1
SCHEMBL9536417 0.83 GPBAR1 (0.46) ALDH1A1L3MBTL1
SCHEMBL9534838 0.81 MAPT (0.56) MAPTALDH1A1CYP2C19TP53TSHR
SCHEMBL5243618 0.79 HSD17B10 (0.59) MAPTALDH1A1CYP2C19TP53HSD17B10
SCHEMBL27936754 0.79 HSD17B10 (0.59) MAPTALDH1A1CYP2C19TP53HTT
SCHEMBL9533615 0.79 HSD17B10 (0.59) MAPTALDH1A1CYP2C19TP53HSD17B10
SCHEMBL9537484 0.77 LMNA (0.52) MAPTALDH1A1TSHRHTTHSD17B10
SCHEMBL9535039 0.76 KMT2A (0.67) MAPTALDH1A1TP53TSHRHTT
SCHEMBL9532664 0.74 HSD17B10 (0.53) MAPTALDH1A1CYP2C19TP53TSHR
SCHEMBL9534026 0.73 MAPT (0.57) MAPTCYP2C19TP53HTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573883-A1 Utilization of 3 substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives against endoparasites new 3-substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives and process for their preparation BAYER AG (DE) 1993-12-15 EP disclosed