SCHEMBL15323178

SCHEMBL15323178

CNc1cc(C)c2nccnc2c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.49
▸ KMT2A Q03164 9/20 0.49
▸ MAPT P10636 6/20 0.49
▸ LMNA P02545 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TLR9 Q9NR96 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ TDP1 Q9NUW8 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP1A2 P05177 4/20 0.36

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
SCHEMBL7449832 0.81 MEN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15322299 0.77 KMT2A (0.41) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL10277259 0.74 KMT2A (0.62) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL31210860 0.69 LMNA (0.46) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL12877828 0.69 LMNA (0.46) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL10277357 0.69 PDE10A (0.51) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL16244483 0.68 MAPT (0.42) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL18307345 0.68 ALDH1A1 (0.42) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL30424951 0.68 MAPT (0.42) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL30046587 0.68 MAPT (0.39) MEN1KMT2AMAPTLMNASMN1; SMN2

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
WO-2013153535-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-17 — — WO disclosed
WO-2013153535-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-17 — — WO disclosed
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