SCHEMBL10545920

SCHEMBL10545920

CC(C)(ON1C(=O)c2ccccc2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ MAOB P27338 2/20 0.42
▸ ATM Q13315 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MDM2 Q00987 1/20 0.41

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
SCHEMBL10637787 0.78 HTR2A (0.44) RAB9AALDH1A1MAPTTDP1SCN2A
SCHEMBL9481830 0.78 ALDH1A1 (0.49) RAB9AALDH1A1MAPTTDP1SCN2A
SCHEMBL10545639 0.76 IDO1 (0.55) RAB9AALDH1A1MAPTMAOBMAOA
SCHEMBL11243947 0.76 HTT (0.45) RAB9AALDH1A1MAPTTDP1SCN2A
SCHEMBL14587496 0.76 CA12 (0.44) ALDH1A1CA12CA9
SCHEMBL659165 0.76 KMT2A (0.63) RAB9AALDH1A1MAPTCA12CA1
SCHEMBL9976430 0.76 ALDH1A1 (0.55) RAB9AALDH1A1MAPTMAOBMAOA
SCHEMBL10465087 0.75 ALDH1A1 (0.54) RAB9AALDH1A1MAPTMAOBMAOA
SCHEMBL11540661 0.75 ALDH1A1 (0.54) RAB9AALDH1A1MAPTMAOBMAOA
SCHEMBL2234344 0.72 HTR2A (0.52) RAB9AALDH1A1MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822788-A MICROBIOCIDES, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 — — US disclosed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 — — US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 — — US disclosed
EP-0053816-B1 1-SULFO-2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1988-05-04 — — EP disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 — — US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 — — US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 — — US disclosed
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 — — EP disclosed
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