SCHEMBL9870698

SCHEMBL9870698

CC(C)(C)c1c[c]c2ccccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
MAPT P10636 4/20 0.37
NQO2 P16083 4/20 0.35
ELANE P08246 1/20 0.35
POLB P06746 2/20 0.34
HMGCR P04035 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GLA P06280 3/20 0.33
MAOA P21397 2/20 0.33
ACHE P22303 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL856453 0.81 TLR7 (0.41) MAPTNQO2ELANEALDH1A1KDM4E
SCHEMBL7959019 0.81 ALDH1A1 (0.38) ATMMAPTNQO2POLBALDH1A1
SCHEMBL96433 0.74 CYP1A2 (0.45) MAPTNQO2POLBALDH1A1KDM4E
SCHEMBL4875167 0.73 MAPT (0.46) MAPTNQO2POLBALDH1A1KDM4E
SCHEMBL481985 0.69 ALDH1A1 (0.46) MAPTNQO2POLBALDH1A1KDM4E
SCHEMBL4462883 0.69 MAPT (0.42) ATMMAPTNQO2POLBALDH1A1
SCHEMBL4462081 0.69 MAOA (0.46) MAPTNQO2POLBALDH1A1KDM4E
SCHEMBL6448214 0.69 MAPT (0.42) MAPTNQO2POLBALDH1A1KDM4E
SCHEMBL5750423 0.69 KDM4E (0.40) MAPTNQO2ELANEPOLBALDH1A1
SCHEMBL7953885 0.69 MAPT (0.37) ATMMAPTNQO2POLBALDH1A1

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
US-5051447-A Applying aromatic oximes to plants, seeds or soils BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed