SCHEMBL10759322

SCHEMBL10759322

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ TSHR P16473 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.32
▸ RECQL P46063 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ MCOLN3 Q8TDD5 1/20 0.30
▸ TDP2 O95551 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
SCHEMBL10759328 0.76 GSK3A (0.35) GSK3BGSK3ATSHRSMN1; SMN2MAPT
SCHEMBL10755749 0.72 MAPT (0.53) GSK3BTSHRSMN1; SMN2MAPTKMT2A
SCHEMBL10755753 0.72 MAPT (0.53) GSK3BTSHRSMN1; SMN2MAPTKMT2A
SCHEMBL10762108 0.70 KMT2A (0.44) GSK3BGSK3ATSHRSMN1; SMN2MAPT
SCHEMBL10762105 0.70 KMT2A (0.44) GSK3BGSK3ATSHRSMN1; SMN2MAPT
SCHEMBL10755226 0.69 TSHR (0.50) TSHRSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL3192674 0.63 TSHR (0.65) TSHRSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL3213294 0.61 TSHR (0.57) TSHRSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11678862 0.60 HSD17B10 (0.41) TSHRSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL29720508 0.60 TSHR (0.59) TSHRSMN1; SMN2MAPTKMT2AMEN1

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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