SCHEMBL10963182

SCHEMBL10963182

O=C(c1ccccc1)c1c(C(=O)O)n(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 1/20 0.46
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL11163119 0.88 ALDH1A1 (0.52) MAT2AMEN1KMT2AALDH1A1THRB
Water SCHEMBL11252650 0.85 MAT2A (0.40) MAT2AMEN1KMT2AHPGDMAPT
SCHEMBL11171270 0.85 MAT2A (0.40) MAT2AMEN1KMT2AHPGDMAPT
SCHEMBL11218740 0.85 MAT2A (0.40) MAT2AMEN1KMT2AHPGDMAPT
Water SCHEMBL10961868 0.83 MAT2A (0.39) MAT2AMEN1KMT2AMAPTLMNA
SCHEMBL11170757 0.82 NOTUM (0.40) MAT2AKMT2AALDH1A1MAPTLMNA
SCHEMBL11159695 0.82 MAT2A (0.40) MAT2AMEN1KMT2AALDH1A1THRB
SCHEMBL11161593 0.82 ALDH1A1 (0.44) MEN1KMT2AALDH1A1THRBHPGD
SCHEMBL11168497 0.81 GAA (0.48) MAT2AMEN1KMT2AALDH1A1THRB
SCHEMBL10963171 0.79 MEN1 (0.42) MAT2AMEN1KMT2AALDH1A1THRB

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 5 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-A1 Orotic acid derivatives and their use as agricultural chemicals UBE INDUSTRIES, LTD. (JP) 1982-05-26 — — EP 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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