SCHEMBL14439820

SCHEMBL14439820

O=C(O)c1cnc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.56
MMP2 P08253 6/20 0.52
MMP9 P14780 6/20 0.52
MMP8 P22894 6/20 0.52
MMP13 P45452 5/20 0.52
NPC1 O15118 5/20 0.52
MAPT P10636 5/20 0.52
RAB9A P51151 5/20 0.52
HTT P42858 3/20 0.52
CASP3 P42574 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
NPBWR1 P48145 7/20 0.50
TNKS O95271 1/20 0.49
GUSB P08236 1/20 0.49
NLRP3 Q96P20 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47

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
SCHEMBL5251968 0.84 NPC1 (0.59) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL4833915 0.81 MMP2 (0.61) MMP2MMP9MMP8MMP13NPC1
SCHEMBL5298807 0.81 CHEK2 (0.59) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL4476782 0.80 RAB9A (0.53) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL5217712 0.80 CHEK2 (0.71) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL23675297 0.79 MAP4K4 (0.47) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL984422 0.78 RAB9A (0.59) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL14439825 0.78 NPC1 (0.62) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL5217725 0.78 CHEK2 (0.87) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL986061 0.76 MMP13 (0.57) MMP2MMP9MMP8MMP13NPC1

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
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 US disclosed
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 US disclosed