Sugi Predict

Sugi Predict / Compounds / SCHEMBL9501627

SCHEMBL9501627

SCHEMBL9501627

COC(C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ HSPB1 P04792 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ TTR P02766 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ HTT P42858 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ PDK1 Q15118 1/20 0.46
▸ TXNRD1 Q16881 1/20 0.45
▸ TXNRD3 Q86VQ6 1/20 0.45

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
SCHEMBL29749825 0.87 PDK1 (0.58) ALDH1A1MEN1KMT2AHSPB1SMN1; SMN2
SCHEMBL6809251 0.87 PDK1 (0.58) ALDH1A1MEN1KMT2AHSPB1SMN1; SMN2
SCHEMBL6575768 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHSPB1SMN1; SMN2
SCHEMBL9638881 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHSPB1SMN1; SMN2
SCHEMBL15567978 0.84 CYP19A1 (0.47) ALDH1A1MEN1KMT2AHSPB1SMN1; SMN2
SCHEMBL10897091 0.83 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11583868 0.81 XDH (0.49) ALDH1A1MEN1KMT2AHSPB1SMN1; SMN2
SCHEMBL20328418 0.81 TDP1 (0.66) ALDH1A1MEN1KMT2AHSPB1SMN1; SMN2
SCHEMBL397931 0.81 TDP1 (0.66) ALDH1A1MEN1KMT2AHSPB1SMN1; SMN2
SCHEMBL20328412 0.81 TDP1 (0.66) ALDH1A1MEN1KMT2AHSPB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328968-B1 PROCESS FOR THE PREPARATION OF 4-ACYLAMINO-2-AMINO ALKOXY BENZENES HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 — — EP disclosed
EP-0292985-B1 PROCESS FOR PREPARING 2,4-DINITRO-PHENYLETHERS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-25 — — EP disclosed
US-5047586-A Process for the preparation of 4-acylamino-2-aminoalkoxybenzenes HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-10 — — US disclosed
EP-0328968-A2 Process for the preparation of 4-acylamino-2-amino alkoxy benzenes HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 — — EP disclosed
US-4847426-A Process for the preparation of 2,4-dinitrophenyl ethers HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-11 — — US disclosed
EP-0292985-A1 Process for preparing 2,4-dinitro-phenylethers HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-30 — — EP disclosed
EP-0124084-B1 PROCESS FOR THE PREPARATION OF 6-CHLORO-2,4-DINITROPHENOL HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-07 — — EP disclosed
US-4540832-A Process for the preparation of 6-chloro-2,4-dinitrophenol HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-10 — — US disclosed
EP-0124084-A2 Process for the preparation of 6-chloro-2,4-dinitrophenol HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-07 — — EP disclosed
EP-0007738-B1 PROCESS FOR PRODUCING 2-AMINO-4-ACYLAMINOPHENYL ETHER AND 2,4-DIAMINOPHENYL ETHER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-12-29 — — EP disclosed
EP-0007738-A1 Process for producing 2-amino-4-acylaminophenyl ether and 2,4-diaminophenyl ether SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-02-06 — — EP disclosed