SCHEMBL10759328

SCHEMBL10759328

Cc1ccc([N+](=O)[O-])c(C=C2C[NH+]([O-])C(=O)N2)c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ TSHR P16473 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RECQL P46063 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL10759322 0.76 GSK3B (0.36) GSK3AGSK3BTSHRSMN1; SMN2MAPT
SCHEMBL10755753 0.71 MAPT (0.53) GSK3BTSHRSMN1; SMN2MAPTMEN1
SCHEMBL10755749 0.71 MAPT (0.53) GSK3BTSHRSMN1; SMN2MAPTMEN1
SCHEMBL10762108 0.69 KMT2A (0.44) GSK3AGSK3BTSHRSMN1; SMN2MAPT
SCHEMBL10762105 0.69 KMT2A (0.44) GSK3AGSK3BTSHRSMN1; SMN2MAPT
SCHEMBL10755226 0.68 TSHR (0.50) TSHRSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1369756 0.63 TSHR (0.59) TSHRSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29720508 0.63 TSHR (0.59) TSHRSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3192674 0.62 TSHR (0.65) TSHRSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3213294 0.61 TSHR (0.57) TSHRSMN1; SMN2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4668686-A 1,3-DIHYDRO-2H-IMIDAZO/4,5-B/QUINOLINE-2-ONES BRISTOL-MYERS COMPANY (US) 1987-05-26 — — US disclosed
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