SCHEMBL9601649

SCHEMBL9601649

O=C(OC(=O)c1ccccc1Oc1ncncn1)c1ccccc1Oc1ncncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYP1A2 P05177 4/20 0.39
▸ CYP2C9 P11712 4/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35

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
SCHEMBL28656936 0.81 SRC (0.48) ALDH1A1KMT2AMEN1GAACTNNB1
SCHEMBL8939191 0.73 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL6937759 0.73 CTNNB1 (0.67) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL5346421 0.73 GAA (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL9545929 0.72 NPSR1 (0.72) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL9275209 0.72 ELANE (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL9380390 0.71 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL352355 0.71 HTT (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL118736 0.70 HTT (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL30867034 0.70 HTT (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1

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-5262386-A Herbicides and plant growth regulators, weed control and positive influence on crop plants CIBA-GEIGY CORPORATION (US) 1993-11-16 — — US disclosed
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