SCHEMBL10788839

SCHEMBL10788839

O=C(Nc1nnn[nH]1)c1cccc([N+](=O)[O-])c1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
DHODH Q02127 1/20 0.44
ALDH1A1 P00352 2/20 0.40
KCNMA1 Q12791 1/20 0.40
HPGD P15428 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
SCHEMBL10647360 0.87 SMN1; SMN2 (0.59) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11563323 0.86 CRHBP (0.53) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10879548 0.81 KMT2A (0.58) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL10792688 0.80 JAK2 (0.42) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL10877847 0.78 TDP1 (0.51) CYP2C9SMN1; SMN2HTTMEN1KMT2A
SCHEMBL10877660 0.78 HPGD (0.58) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL10879218 0.76 ALDH1A1 (0.47) SMN1; SMN2NPC1GAAHTTMEN1
SCHEMBL12892210 0.76 JAK2 (0.55) CYP1A2CYP2C19SMN1; SMN2NPC1KMT2A
SCHEMBL10791103 0.76 ALPL (0.67) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL12892214 0.76 ALPL (0.55) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135032-B1 CARBAMATES AND OXALYL AMIDES OF AMINO-N-(1H-TETRAZOL-5-YL) BENZAMIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-09-30 EP disclosed
US-4526979-A Carbamates and oxalamides of amino-N-(1H-tetrazol-5-yl)benzamides MERRELL DOW PHARMACEUTICALS INC. (US) 1985-07-02 US disclosed
EP-0135032-A1 Carbamates and oxalyl amides of amino-N-(1H-tetrazol-5-yl) benzamides MERRELL DOW PHARMACEUTICALS INC. (US) 1985-03-27 EP disclosed