SCHEMBL9350297

SCHEMBL9350297

C=CCOC(=O)C(COc1ccccc1)Oc1cnc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 7/20 0.43
▸ HTT P42858 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RHOA P61586 1/20 0.41
▸ CASP1 P29466 3/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8881794 0.83 MEN1 (0.54) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL10357756 0.82 PPARG (0.54) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL10771748 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL9288515 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL10882476 0.75 HTT (0.51) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL9350301 0.73 MEN1 (0.50) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL8435218 0.73 PPARA (0.60) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL9350292 0.72 MEN1 (0.44) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL10886724 0.72 PPARA (0.58) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL10890754 0.72 PPARA (0.46) MEN1KMT2AALDH1A1HTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5319102-A Pre-and postemergence UNIROYAL CHEMICAL COMPANY, INC. (US) 1994-06-07 — — US disclosed
EP-0323727-B1 HETEROCYCLIC-ALKYLENE QUINOXALINYLOXYPHENOXY PROPANOATE HERBICIDES UNIROYAL CHEM CO INC (US) 1993-09-01 — — EP disclosed
US-5120348-A Heterocyclic-alkylene quinoxalinyloxyphenoxypropanoate herbicides UNIROYAL CHEMICAL COMPANY, INC. (US) 1992-06-09 — — US disclosed
EP-0323727-A2 Heterocyclic-alkylene quinoxalinyloxyphenoxy propanoate herbicides UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-07-12 — — EP disclosed
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