SCHEMBL10509862

SCHEMBL10509862

CC1(C)C=C(N2CCCCC2=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CASP3 P42574 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP4 P49662 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP9 P55211 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL10757454 0.77 CASP6 (0.40) CASP6TDP1POLBAPEX1CTDSP1
SCHEMBL8123714 0.75 CASP6 (0.37) CASP6TDP1POLBAPEX1CTDSP1
SCHEMBL85584 0.72 TDP1 (0.53) CASP6TDP1POLBAPEX1CTDSP1
SCHEMBL9735458 0.71 NR1H4 (0.39) CASP6TDP1POLBAPEX1CTDSP1
SCHEMBL9201653 0.71 NR1H4 (0.37) CASP6TDP1POLBAPEX1CTDSP1
SCHEMBL8120777 0.71 CASP6 (0.37) CASP6TDP1POLBAPEX1CTDSP1
SCHEMBL5415229 0.71 TDP1 (0.52) CASP6TDP1POLBAPEX1CTDSP1
SCHEMBL9372313 0.70 CASP6 (0.39) CASP6TDP1POLBAPEX1CTDSP1
SCHEMBL5166507 0.70 MAPT (0.57) CASP6TDP1POLBAPEX1CTDSP1
SCHEMBL14864868 0.70 POLB (0.51) CASP6TDP1POLBAPEX1CTDSP1

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
EP-0321175-A1 Indane derivatives BEECHAM GROUP PLC (GB) 1989-06-21 — — EP disclosed
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