SCHEMBL9408601

SCHEMBL9408601

O=C(O)C1Cc2c(ccc3c2CCN3)N1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 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
SCHEMBL27479513 0.70 GAA (0.45) MAPTGAA
SCHEMBL7132853 0.70 MAPT (0.53) MAPTGAAALDH1A1TP53CYP1A2
SCHEMBL12620402 0.70 GAA (0.45) MAPTGAA
SCHEMBL27375830 0.70 GAA (0.45) MAPTGAAALDH1A1TP53CYP1A2
SCHEMBL27515096 0.70 GAA (0.45) MAPTGAAALDH1A1TP53CYP1A2
SCHEMBL4999605 0.69 GAA (0.56) MAPTGAA
SCHEMBL13241463 0.69 GAA (0.56) MAPTGAAALDH1A1THRATHRB
SCHEMBL533193 0.69 MAPT (0.44) MAPTGAAALDH1A1TP53CYP1A2
SCHEMBL24112504 0.68 ALDH1A1 (0.44) MAPTGAAALDH1A1TP53CYP1A2
SCHEMBL7657562 0.68 ALDH1A1 (0.44) MAPTGAAALDH1A1TP53CYP1A2

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
JP-6298762-A None JP disclosed
JP-H06298762-A PRODUCTION OF DUOCARMYCIN DERIVATIVE KYOWA HAKKO KOGYO CO LTD 1994-10-25 JP disclosed