SCHEMBL27727490

SCHEMBL27727490

c1ccc(NNC2CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.55
ALDH1A1 P00352 3/20 0.55
CTSD P07339 1/20 0.55
HSD17B10 Q99714 2/20 0.41
TSHR P16473 3/20 0.39
PTGS2 P35354 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2B P41595 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
GFER P55789 2/20 0.39
RAB9A P51151 3/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 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
SCHEMBL18880248 0.90 TDP1 (0.50) TDP1ALDH1A1CTSDHSD17B10L3MBTL1
SCHEMBL20926000 0.88 SMN1; SMN2 (0.52) TDP1ALDH1A1CTSDL3MBTL1MAPK1
SCHEMBL22732504 0.88 SMN1; SMN2 (0.52) TDP1ALDH1A1CTSDL3MBTL1MAPK1
SCHEMBL3091778 0.88 SMN1; SMN2 (0.52) TDP1ALDH1A1CTSDL3MBTL1MAPK1
SCHEMBL22367012 0.88 SMN1; SMN2 (0.52) TDP1ALDH1A1CTSDL3MBTL1MAPK1
SCHEMBL24949035 0.88 SMN1; SMN2 (0.52) TDP1ALDH1A1CTSDL3MBTL1MAPK1
SCHEMBL20892706 0.88 SMN1; SMN2 (0.52) TDP1ALDH1A1CTSDL3MBTL1MAPK1
SCHEMBL22792525 0.88 SMN1; SMN2 (0.52) TDP1ALDH1A1CTSDL3MBTL1MAPK1
SCHEMBL19366413 0.77 MAOB (0.35) TDP1ALDH1A1CTSDCYP3A4MEN1
SCHEMBL236978 0.76 CARM1 (0.52) TDP1ALDH1A1CTSDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101594866-B Topical formulations HELPERBY THERAPEUTICS LTD. (GB) 2014-10-22 CN disclosed
CN-101351203-B Application of pyrroloquinoline compound in killing clinically latent microorganisms HELPERBY THERAPEUTICS LTD 2013-12-04 CN disclosed
CN-101594866-A The preparation of local usefulness HELPERBY THERAPEUTICS LTD (GB) 2009-12-02 CN disclosed
CN-101351203-A Application of pyrroloquinoline compound in killing clinically latent microorganisms HELPERBY THERAPEUTICS LTD (GB) 2009-01-21 CN disclosed