SCHEMBL9073535

SCHEMBL9073535

O=Nc1ccc([O-])cc1.O=Nc1ccc([O-])cc1.[Mg+2]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ CYP3A4 P08684 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ KMT2A Q03164 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL1408568 0.94 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL234461 0.80 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL27660168 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL24385153 0.71 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL27251960 0.71 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL10887099 0.71 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL712641 0.69 — —
SCHEMBL31217749 0.69 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL16712211 0.67 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL14396321 0.67 ENPP2 (0.48) ALDH1A1HSD17B10TSHRTP53MAPK1

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
EP-0448391-B1 Process for making controlled uniform-sized polymer particles ROHM & HAAS (US) 1996-05-22 — — EP disclosed
EP-0342283-B1 THERMOPLASTIC AND THERMOSET POLYMER COMPOSITIONS ROHM AND HAAS COMPANY (US) 1993-02-17 — — EP disclosed
US-5147937-A PROCESS FOR MAKING CONTROLLED, UNIFORM-SIZED PARTICLES IN THE 1 TO 50 MICROMETER RANGE ROHM AND HAAS COMPANY (US) 1992-09-15 — — US disclosed
EP-0448391-A2 Process for making controlled uniform-sized polymer particles ROHM AND HAAS COMPANY (US) 1991-09-25 — — EP disclosed
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