SCHEMBL9533918

SCHEMBL9533918

Cc1onc(-c2ccccc2)c1OC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 2/20 0.47
NTRK1 P04629 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
MLYCD O95822 1/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
THRB P10828 1/20 0.45
PIM1 P11309 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL9535755 0.87 ALDH1A1 (0.52) MAPTSMN1; SMN2MAPK1ALDH1A1TP53
SCHEMBL9536170 0.85 MAPT (0.52) MAPTSMN1; SMN2MAPK1ALDH1A1TP53
SCHEMBL9533937 0.85 ALDH1A1 (0.50) MAPTSMN1; SMN2MAPK1ALDH1A1TP53
SCHEMBL9537454 0.76 GHSR (0.50) NPC1SMN1; SMN2ALDH1A1TRPV1RAB9A
SCHEMBL9533388 0.75 TSHR (0.51) MAPTNPC1ALDH1A1HTTRAB9A
SCHEMBL5242546 0.75 KMT2A (0.56) SMN1; SMN2MAPK1HTTMEN1KMT2A
SCHEMBL9533884 0.75 KMT2A (0.59) MAPTNPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL2787428 0.74 MAPT (0.44) MAPTNPC1SMN1; SMN2TP53NTRK1
SCHEMBL27495331 0.74 KMT2A (0.55) SMN1; SMN2MAPK1ALDH1A1HTTMEN1
SCHEMBL9535701 0.73 KMT2A (0.54) SMN1; SMN2MAPK1HTTMEN1KMT2A

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