SCHEMBL9027345

SCHEMBL9027345

O=C(Oc1ccccc1[N+](=O)[O-])C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HTT P42858 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ ESR2 Q92731 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ELANE P08246 1/20 0.43

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
SCHEMBL7134426 0.94 SMN1; SMN2 (0.49) RAB9AL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL28731533 0.90 ALDH1A1 (0.50) RAB9AL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL28731537 0.85 ALDH1A1 (0.46) RAB9AL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL11829181 0.81 KMT2A (0.42) RAB9AL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL16756212 0.80 L3MBTL1 (0.70) RAB9AL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL10338319 0.79 ALDH1A1 (0.53) RAB9AL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL31572517 0.79 ALDH1A1 (0.60) RAB9AL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL29911025 0.79 ALDH1A1 (0.60) RAB9AL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL57736 0.79 ALDH1A1 (0.60) RAB9AL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL28793663 0.79 ALDH1A1 (0.60) RAB9AL3MBTL1MEN1KMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107973791-B Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 南京圣和药业股份有限公司 2020-04-07 — — CN disclosed
CN-107614503-B Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 广东众生药业股份有限公司 2020-03-10 — — CN disclosed
CN-107614503-A Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 广东众生药业股份有限公司 2018-01-19 — — CN disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 — — EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 — — WO disclosed
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