SCHEMBL10554685

SCHEMBL10554685

C=CCc1nc(-c2ccccc2[N+](=O)[O-])ns1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ GFER P55789 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.40
▸ MGAM O43451 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ SI P14410 2/20 0.38
▸ MGAM2 Q2M2H8 2/20 0.38
▸ GUSB P08236 1/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ F2RL3 Q96RI0 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ TXNRD1 Q16881 1/20 0.35
▸ TXNRD3 Q86VQ6 1/20 0.35
▸ TXNRD2 Q9NNW7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10551235 0.76 ALDH1A1 (0.47) ALDH1A1TDP1MGAMGAASI
SCHEMBL10557003 0.75 MGAM (0.58) ALDH1A1GFERTDP1MGAMGAA
SCHEMBL10546814 0.75 ALDH1A1 (0.46) ALDH1A1TDP1MGAMGAASI
SCHEMBL10549402 0.75 MGAM (0.54) ALDH1A1TDP1MGAMGAASI
SCHEMBL10552543 0.74 MAPT (0.46) ALDH1A1GFERTDP1GUSBKMT2A
SCHEMBL10549047 0.71 ALDH1A1 (0.42) ALDH1A1TDP1MGAMGAASI
SCHEMBL11043537 0.68 ALDH1A1 (0.49) ALDH1A1GFERTDP1MGAMGAA
SCHEMBL9566483 0.67 ALDH1A1 (0.52) ALDH1A1TDP1MGAMGAASI
SCHEMBL30367918 0.67 ALDH1A1 (0.58) ALDH1A1TDP1KMT2ANPC1RAB9A
SCHEMBL1135905 0.67 ALDH1A1 (0.58) ALDH1A1TDP1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4810282-A 3-ORTHO-(ISOXAZOLYL,ISOTHIAZOLYL, PYRAZOLYL,THIADIAZOLYL, OXADIAZOLYL AND TRIAZOLYL BENZENESULFONUREYLENE-1,2,4-TRIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 — — US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 — — EP disclosed
US-4695311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-22 — — US disclosed
US-4606755-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-19 — — US disclosed
US-4514214-A Herbicidal sulfamates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 — — US disclosed
US-4511392-A N--/PYRIMIDIN-2-YLAMINOCARBENYL/-HETERO-SUBSTITUETED BENZENSESULFO E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 — — US disclosed
US-4475944-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-09 — — US disclosed
EP-0096593-A2 Herbicidal sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-21 — — EP disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 — — EP disclosed
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