SCHEMBL9620111

SCHEMBL9620111

Nc1nc2cc(C3NC(=O)NC3=O)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.45
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MASP2 O00187 1/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ FABP6 P51161 2/20 0.37
▸ PLAU P00749 1/20 0.36
▸ TYMS P04818 2/20 0.33
▸ ABL1 P00519 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
SCHEMBL9619445 0.80 TDP1 (0.46) TDP1GAAALDH1A1MEN1KMT2A
SCHEMBL9620034 0.74 TDP1 (0.44) TDP1GAAALDH1A1MEN1KMT2A
SCHEMBL9619818 0.73 TDP1 (0.53) TDP1GAAALDH1A1MAPTLMNA
SCHEMBL10631855 0.72 TDP1 (0.49) TDP1GAAALDH1A1MEN1KMT2A
SCHEMBL14486917 0.72 BACE1 (0.49) TDP1ALDH1A1MEN1KMT2AMASP2
SCHEMBL8977446 0.71 ALDH1A1 (0.44) TDP1GAAALDH1A1KMT2AMAPT
SCHEMBL13527924 0.71 TDP1 (0.80) TDP1GAAALDH1A1MEN1KMT2A
SCHEMBL9828402 0.71 TDP1 (0.50) TDP1GAAALDH1A1MAPTLMNA
SCHEMBL10631932 0.70 TDP1 (0.46) TDP1GAAALDH1A1MEN1KMT2A
SCHEMBL8252775 0.70 TDP1 (0.67) TDP1GAAALDH1A1MAPTBACE1

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
US-RE33948-E Bactericides, animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 — — US disclosed
US-4748163-A Novel β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 — — US disclosed
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