SCHEMBL9503183

SCHEMBL9503183

COC(C)Oc1ccc(N)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HTT P42858 3/20 0.46
CASP1 P29466 2/20 0.46
USP2 O75604 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NR4A1 P22736 1/20 0.37
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
SCHEMBL3875281 0.83 POLB (0.49) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL11028180 0.82 ALDH1A1 (0.62) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL3732045 0.82 ALDH1A1 (0.47) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL129715 0.80 ALDH1A1 (0.46) ALDH1A1MAPTGAAKDM4EHTT
Hydrochloric Acid SCHEMBL33975 0.78 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4EHTT
Hydrochloric Acid SCHEMBL29836005 0.78 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4EHTT
Hydrochloric Acid SCHEMBL3248993 0.78 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4EHTT
Hydrochloric Acid SCHEMBL1426463 0.78 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4EHTT
Hydrochloric Acid SCHEMBL10397659 0.78 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL31194867 0.78 POLB (0.40) ALDH1A1MAPTGAAKDM4EHTT

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 5 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
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
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