SCHEMBL9044504

SCHEMBL9044504

COc1cccc2nc(-c3ccccc3[N+](=O)[O-])[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.56
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AMY1A P0DUB6 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
NPBWR1 P48145 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
PDE5A O76074 1/20 0.41
MEN1 O00255 1/20 0.41
F2 P00734 1/20 0.41
C1R P00736 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
PTGES O14684 1/20 0.41

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
SCHEMBL7713539 0.83 MGAM (0.64) GUSBMGAMGAASIMGAM2
SCHEMBL9044494 0.80 MGAM (0.71) GUSBMGAMGAASIMGAM2
SCHEMBL7719025 0.79 GUSB (0.57) GUSBMGAMGAASIMGAM2
SCHEMBL9045175 0.78 ALDH1A1 (0.55) GUSBGAAALDH1A1TDP1AMY1A
SCHEMBL7718414 0.78 GUSB (0.60) GUSBMGAMGAASIMGAM2
SCHEMBL7129517 0.77 TDP1 (0.43) GUSBALDH1A1TDP1AMY1AL3MBTL1
SCHEMBL7716962 0.77 GUSB (0.55) GUSBMGAMGAASIMGAM2
SCHEMBL14664339 0.76 MMP2 (0.60) GUSBALDH1A1TDP1AMY1A
SCHEMBL2872555 0.76 GUSB (0.68) GUSBMGAMGAASIMGAM2
SCHEMBL31679095 0.76 GUSB (0.68) GUSBMGAMGAASIMGAM2

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
EP-0700906-A1 Heterocyclic derivatives of N-phenylamides BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-13 EP disclosed
US-5496826-A ANTICONVULSANTS, MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-05 US disclosed