SCHEMBL9350301

SCHEMBL9350301

C=CCOC(=O)C(C)Oc1ccccc1Oc1cnc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ HTT P42858 9/20 0.45
▸ ALDH1A1 P00352 8/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ RHOA P61586 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL10882476 0.88 HTT (0.51) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL8881786 0.82 KMT2A (0.57) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL9288518 0.81 MEN1 (0.47) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL10357757 0.77 KMT2A (0.44) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL10848461 0.74 HTT (0.58) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL9350297 0.73 MEN1 (0.45) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL9444084 0.71 ALDH1A1 (0.53) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL10732452 0.71 ALDH1A1 (0.46) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL14969420 0.71 POLB (0.54) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL10885983 0.71 HTT (0.60) MEN1KMT2AHTTALDH1A1SMN1; 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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