SCHEMBL4454936

SCHEMBL4454936

O=C(O)Nc1ccccc1-n1nccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
PLA2G1B P04054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
KMT2A Q03164 3/20 0.38
KCNQ2 O43526 3/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL4330122 0.81 KMT2A (0.47) SMN1; SMN2L3MBTL1NPSR1KMT2AMAPT
SCHEMBL17761183 0.76 ALDH1A1 (0.54) POLBL3MBTL1KMT2AMAPTMEN1
SCHEMBL4468269 0.75 ABCG2 (0.44) ABCB1ABCG2PLA2G1BSMN1; SMN2ATG4B
SCHEMBL4451781 0.73 KMT2A (0.52) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL29519193 0.73 SMN1; SMN2 (0.54) SMN1; SMN2POLBKMT2AGAATSHR
SCHEMBL1226530 0.73 SMN1; SMN2 (0.54) SMN1; SMN2POLBKMT2AGAATSHR
SCHEMBL30006500 0.72 ALDH1A1 (0.56) POLBL3MBTL1MAPTTSHRALDH1A1
SCHEMBL1586233 0.72 ALDH1A1 (0.56) POLBL3MBTL1MAPTTSHRALDH1A1
SCHEMBL17028096 0.72 HCRTR1 (0.39)
SCHEMBL17028130 0.72 HCRTR1 (0.39)

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-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed