SCHEMBL2156340

SCHEMBL2156340

CC1(C)OC[C@H](COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
HTR2C P28335 1/20 0.40
ATM Q13315 1/20 0.40
PDE1C Q14123 1/20 0.39
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FOLH1 Q04609 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2156927 0.89 ELANE (0.44) HTR2CP2RX7
SCHEMBL4387114 0.85 PRMT5 (0.42) ALDH1A1PRMT5WDR77HSP90AA1KMT2A
SCHEMBL26782491 0.80 ELANE (0.42) HTR2CP2RX7
SCHEMBL2156734 0.78 HTR2C (0.51) HTR2CALDH1A1L3MBTL1KMT2A
SCHEMBL8749775 0.78 HTR2C (0.51) HTR2CALDH1A1L3MBTL1KMT2A
SCHEMBL1568877 0.76 HTR2C (0.49) HTR2CALDH1A1L3MBTL1KMT2A
SCHEMBL1568880 0.76 HTR2C (0.49) HTR2CALDH1A1L3MBTL1KMT2A
SCHEMBL1568398 0.75 HTR2C (0.48) HTR2CALDH1A1KMT2A
SCHEMBL1568401 0.75 HTR2C (0.48) HTR2CALDH1A1KMT2A
SCHEMBL7406225 0.74 HTT (0.47) HTR2CALDH1A1CYP1A2CYP3A4CYP2C9

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-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US disclosed