SCHEMBL4782157

SCHEMBL4782157

Cc1ncc([N+](=O)[O-])cc1-n1cc(C(=O)O)nn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TGM2 P21980 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL4782153 1.00 NOTUM (0.37) NOTUMKEAP1NFE2L2MAPK1MAPT
SCHEMBL14292732 0.84 GPR119 (0.38) NOTUMMAPTPOLB
SCHEMBL14293533 0.84 KMT2A (0.34) MAPTALDH1A1TGM2SMN1; SMN2POLB
SCHEMBL4780603 0.81 DRD2 (0.38) NOTUMMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL4781744 0.75 MAPT (0.32) MAPK1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL4782960 0.73 CYP2C19 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL13436194 0.73 CHEK1 (0.40) KEAP1NFE2L2
SCHEMBL4781747 0.72 NPC1 (0.37) MAPTALDH1A1
SCHEMBL14293528 0.71 PKM (0.37) MAPTALDH1A1TDP1SMN1; SMN2POLB
SCHEMBL31162142 0.70 NOTUM (0.41) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed