SCHEMBL4328642

SCHEMBL4328642

[c]1cccc(CCc2cccc(N3CCCC3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.54
AGXT P21549 3/20 0.51
L3MBTL3 Q96JM7 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MBTD1 Q05BQ5 1/20 0.45
TP53BP1 Q12888 1/20 0.45
CHKA P35790 5/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNQ2 O43526 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL4337043 0.87 HTR7 (0.50) ALDH1A1MAPTSIGMAR1DRD2DRD3
SCHEMBL4331617 0.87 AGXT (0.55) PRMT6AGXTL3MBTL3L3MBTL1SIGMAR1
SCHEMBL4321581 0.84 CHKA (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1CHKA
SCHEMBL4332085 0.83 CHKA (0.48) PRMT6L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL27829456 0.82 RORC (0.46) USP2MAPTGAAHSD17B10
SCHEMBL541280 0.76 L3MBTL1 (0.41) PRMT6AGXTL3MBTL3L3MBTL1MBTD1
SCHEMBL10244433 0.76 PRMT6 (0.61) PRMT6AGXTL3MBTL3L3MBTL1MBTD1
SCHEMBL4806907 0.76 AGXT (0.58) PRMT6AGXTL3MBTL3L3MBTL1MBTD1
SCHEMBL4320115 0.75 TAAR1 (0.41) KDM4EMEN1KMT2AACHE
SCHEMBL160644 0.75 PRMT6 (0.42) PRMT6L3MBTL3L3MBTL1MBTD1CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 WO claimed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 WO disclosed