SCHEMBL9501975

SCHEMBL9501975

CC1(C)C=Cc2cccc([N+](=O)[O-])c2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.42
▸ TSHR P16473 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GPR35 Q9HC97 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NOS2 P35228 1/20 0.35

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
SCHEMBL27788131 0.77 TDP1 (0.35) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL7494409 0.71 GAA (0.48) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL7478900 0.66 TDP1 (0.39) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL10840085 0.66 TDP1 (0.42) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL17065875 0.64 ALDH1A1 (0.44) TDP1SMN1; SMN2GPR35MAPTL3MBTL1
SCHEMBL11323233 0.64 GAA (0.52) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL2255782 0.63 MAPT (0.50) TDP1SMN1; SMN2HSD17B10MAPTL3MBTL1
SCHEMBL9484180 0.63 TDP1 (0.52) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL4411836 0.62 CA1 (0.42) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL17950650 0.62 PDK2 (0.46) TDP1TSHRSMN1; SMN2GPR35HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260939-B1 MOLECULES WITH ANTIBODY COMBINING SITES THAT EXHIBIT CATALYTIC PROPERTIES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-04-28 — — EP disclosed
US-5030717-A Binding site which bind to reactant ligand, stabilization SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-07-09 — — US disclosed
EP-0260939-A2 Molecules with antibody combining sites that exhibit catalytic properties SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1988-03-23 — — EP disclosed
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