SCHEMBL11037703

SCHEMBL11037703

O=C(O)c1c(C(=O)O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALKBH5 Q6P6C2 1/20 0.42
▸ MAT2A P31153 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ERO1A Q96HE7 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
Water SCHEMBL10962459 0.99 NPSR1 (0.49) NPSR1MAPTSMN1; SMN2KMT2AALKBH5
Water SCHEMBL10962855 0.96 NPSR1 (0.49) NPSR1MAPTSMN1; SMN2KMT2AALKBH5
SCHEMBL11161900 0.89 NPSR1 (0.51) NPSR1MAPTSMN1; SMN2KMT2AMAT2A
SCHEMBL11037702 0.87 NPSR1 (0.44) NPSR1MAPTSMN1; SMN2KMT2AALKBH5
SCHEMBL11218740 0.87 MAT2A (0.40) NPSR1MAPTSMN1; SMN2KMT2AALKBH5
SCHEMBL10967656 0.86 TSHR (0.49) MAPTSMN1; SMN2KMT2AMAT2AMEN1
Water SCHEMBL10962851 0.86 NPSR1 (0.44) NPSR1MAPTSMN1; SMN2KMT2AALKBH5
Water SCHEMBL10962391 0.86 NPSR1 (0.44) NPSR1MAPTSMN1; SMN2KMT2AALKBH5
Water SCHEMBL10961868 0.85 MAT2A (0.39) NPSR1MAPTSMN1; SMN2KMT2AALKBH5
SCHEMBL11166457 0.85 ALDH1A1 (0.47) NPSR1MAPTSMN1; SMN2KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4400508-A AGRICULTURE; PLANT DISEASES; ANTISEPTICS UBE INDUSTRIES, LTD. (JP) 1983-08-23 — — US claimed
EP-0052341-B1 OROTIC ACID DERIVATIVES AND THEIR USE AS AGRICULTURAL CHEMICALS UBE INDUSTRIES, LTD. (JP) 1985-05-29 — — EP disclosed
US-4400508-A AGRICULTURE; PLANT DISEASES; ANTISEPTICS UBE INDUSTRIES, LTD. (JP) 1983-08-23 — — US disclosed
EP-0052341-A1 Orotic acid derivatives and their use as agricultural chemicals UBE INDUSTRIES, LTD. (JP) 1982-05-26 — — EP disclosed
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