SCHEMBL9483532

SCHEMBL9483532

Cc1ccc(S(=O)(=O)OCC2Cc3c[nH]c4cccc(c34)C(=O)N2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
PRKCD Q05655 3/20 0.38
PRKCG P05129 2/20 0.37
PRKCB P05771 2/20 0.37
PRKCA P17252 2/20 0.37
PRKCH P24723 2/20 0.37
PRKCE Q02156 2/20 0.37
PRKCQ Q04759 2/20 0.37
PRKD3 O94806 1/20 0.37
PRKCI P41743 1/20 0.37
PRKCZ Q05513 1/20 0.37
PRKD1 Q15139 1/20 0.37
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
CXCR3 P49682 1/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 2/20 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
SCHEMBL8799119 0.82 PARP1 (0.37) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL1776287 0.76 CRBN (0.40) ALDH1A1MAPTRECQLCYP3A4CYP2D6
SCHEMBL8798234 0.75 PRKCD (0.58) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL8798803 0.75 PARP1 (0.54) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL10606538 0.74 KDM4E (0.64) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL10606534 0.74 KDM4E (0.64) KDM4EALDH1A1HPGDMEN1MAPT
Hydrochloric Acid SCHEMBL8798710 0.74 PARP1 (0.52) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL9485325 0.73 PARP1 (0.51) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL8800099 0.72 PARP1 (0.50) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL10606204 0.69 HTR7 (0.54) ALDH1A1MEN1KMT2AHSD17B10CYP3A4

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-5272143-A 6-oxoazepinoindole compounds, and pharmaceutical compositions containing them KALI-CHEMIE PHARMA GMBH (DE) 1993-12-21 US disclosed