SCHEMBL1759488

SCHEMBL1759488

O=[N+]([O-])c1ccc(Sn2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
KMT2A Q03164 8/20 0.47
MEN1 O00255 6/20 0.47
LMNA P02545 3/20 0.47
P2RX4 Q99571 1/20 0.47
POLB P06746 2/20 0.44
ATM Q13315 2/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PLEC Q15149 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TLR9 Q9NR96 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1759845 0.77 TXNRD1 (0.55) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL29475755 0.76 KDM4E (0.44) MAPTKMT2AMEN1POLBATM
SCHEMBL4763968 0.76 KDM4E (0.44) MAPTKMT2AMEN1POLBATM
SCHEMBL3107098 0.74 ATM (0.55) MAPTKMT2AMEN1LMNAP2RX4
SCHEMBL29525910 0.74 ATM (0.55) MAPTKMT2AMEN1LMNAP2RX4
SCHEMBL24284768 0.73 ALDH1A1 (0.40) MAPTKMT2AMEN1LMNAP2RX4
SCHEMBL27936304 0.71 MAPT (0.82) MAPTKMT2AMEN1LMNAP2RX4
SCHEMBL30002356 0.69 P2RX4 (0.47) MAPTP2RX4ATMALDH1A1GAA
SCHEMBL29475756 0.69 HPGD (0.49) MAPTKMT2AMEN1LMNAP2RX4
SCHEMBL16694429 0.69 HPGD (0.49) MAPTKMT2AMEN1LMNAP2RX4

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-2011060113-A1 SULFENAMIDE COMPOUNDS FOR PHOTOTHERAPY MALLINCKRODT INC. (US) 2011-05-19 WO disclosed
WO-2011060113-A1 SULFENAMIDE COMPOUNDS FOR PHOTOTHERAPY MALLINCKRODT INC. (US) 2011-05-19 WO disclosed