SCHEMBL9481830

SCHEMBL9481830

O=C(CON1C(=O)c2ccccc2C1=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ SCN2A Q99250 1/20 0.45
▸ ATM Q13315 1/20 0.43

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
SCHEMBL659165 0.84 KMT2A (0.63) ALDH1A1HTTRAB9AMAPTCYP2C9
SCHEMBL11243947 0.81 HTT (0.45) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL10637787 0.81 HTR2A (0.44) ALDH1A1RAB9AMAPTTDP1SCN2A
SCHEMBL10545920 0.78 RAB9A (0.46) ALDH1A1RAB9AMAPTTDP1SCN2A
SCHEMBL14598270 0.77 ALDH1A1 (0.51) ALDH1A1HTTRAB9AMAPTCYP1A2
SCHEMBL10546903 0.74 IDO1 (0.65) ALDH1A1HTTRAB9AMAPT
SCHEMBL9594970 0.74 RAB9A (0.52) ALDH1A1HTTRAB9AMAPT
SCHEMBL1555636 0.74 ALDH1A1 (0.59) ALDH1A1HTTRAB9AMAPT
SCHEMBL11688696 0.73 ALDH1A1 (0.70) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL6659912 0.73 ALDH1A1 (0.70) ALDH1A1HTTRAB9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252731-A Antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 — — US disclosed
US-5110921-A Bactericides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-05 — — US disclosed
US-4960889-A CEPHALOSPORIN INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-02 — — US disclosed
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-4731443-A 7-acylamino-3-vinylcephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-15 — — US 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
US-4487927-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 — — 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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