SCHEMBL6159261

SCHEMBL6159261

NCc1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.60
F10 P00742 1/20 0.60
F7 P08709 1/20 0.60
GAA P10253 4/20 0.59
RAD52 P43351 1/20 0.57
UBE2N P61088 1/20 0.57
PKM P14618 3/20 0.54
MAPT P10636 3/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2B Q13224 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 3/20 0.53
TSHR P16473 2/20 0.51
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
DDAH1 O94760 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGFR P00533 1/20 0.49

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
SCHEMBL6159254 0.91 GAA (0.59) F2F10F7GAAPKM
SCHEMBL7072252 0.89 RAD52 (0.59) F2F10F7GAARAD52
SCHEMBL7272943 0.86 GAA (0.75) GAAPKMMAPTGRIN1GRIN2B
SCHEMBL6159269 0.84 POLB (0.70) F2F10GAARAD52UBE2N
SCHEMBL7071785 0.82 LMNA (0.66) F2F10F7GAARAD52
SCHEMBL9043160 0.82 MAPT (0.49) F2F10F7GAARAD52
SCHEMBL230024 0.82 GAA (0.78) F2F10F7GAAPKM
SCHEMBL7504400 0.81 GRIN1 (0.77) GAARAD52UBE2NPKMMAPT
SCHEMBL5795499 0.79 GAA (0.64) GAAPKMMAPTGRIN1GRIN2B
SCHEMBL29450860 0.78 DDAH1 (0.66) GAAPKMPOLBTSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943008-B1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-11-09 EP disclosed
US-6355460-B1 DETECTING ENZYME INHIBITORS; INCUBATE ENZYME WITH MODULATOR, MONITOR SAMPLE FOR REDUCTION IN ENZYME ACTIVITY, REDUCTION IN ENZYME ACTIVITY INDICATES MODULATOR AXYS PHARMACEUTICALS, INC. 2002-03-12 US disclosed
US-6255091-B1 ASSAYING FOR ENHANCED INHIBITION OF SERINE PROTEASE IN A MEDIUM THAT IS DEVOID OF DISSACIATED DIVALENT METAL CATIONS AXYS PHARMACEUTICALS, INC. 2001-07-03 US disclosed
EP-0943008-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 1999-09-22 EP disclosed
WO-1998022619-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-05-28 WO disclosed