SCHEMBL9502972

SCHEMBL9502972

NCOc1cccc(OCN)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.60
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
TAAR1 Q96RJ0 1/20 0.42
MAOB P27338 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL28385764 0.89 MAOB (0.58) AGXTCYP3A4ALDH1A1SMN1; SMN2TSHR
Sulfuric Acid SCHEMBL10874566 0.87 AGXT (0.48) AGXTTP53CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL8771433 0.85 CYP3A4 (0.67) AGXTTP53CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL3788266 0.84 CHRNB2 (0.55) AGXTCYP3A4ALDH1A1TAAR1CA2
SCHEMBL21742155 0.84 WDR5 (0.59) AGXTSMN1; SMN2TAAR1MAOBMEN1
SCHEMBL3246350 0.84 ACHE (0.56) AGXTALDH1A1MAOBKMT2AGAA
SCHEMBL14303721 0.84 MAOB (0.60) AGXTCYP3A4ALDH1A1SMN1; SMN2TAAR1
SCHEMBL16018323 0.84 AGXT (0.50) AGXTTAAR1MAOB
SCHEMBL1912740 0.82 AGXT (0.53) AGXTTAAR1MAOB
SCHEMBL609214 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116651239-A Method for preparing nano composite film 南通速润净水科技有限公司 2023-08-29 CN claimed
CN-116651239-A Method for preparing nano composite film 南通速润净水科技有限公司 2023-08-29 CN disclosed
CN-104975496-A Complex oil agent for textile and preparation method thereof YANCHENG INST TECHNOLOGY 2015-10-14 CN disclosed
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
US-4270918-A METALLIZED TRIAZINE-FUNCTIONAL MONOAZO DYE CIBA-GEIGY CORPORATION (US) 1981-06-02 US disclosed