SCHEMBL22201243

SCHEMBL22201243

O=[N+]([O-])c1ncccc1Oc1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.33
P2RX3 P56373 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 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
SCHEMBL22201238 0.92 POLB (0.36) ABCG2MAPTP2RX3ALDH1A1
SCHEMBL22201242 0.86 HTR2C (0.38) ABCG2P2RX3ALDH1A1ABCB1
SCHEMBL22201321 0.84 BRAF (0.36) ABCG2P2RX3ABCB1
SCHEMBL22201653 0.81 TGFBR1 (0.41) ABCG2P2RX3ALDH1A1ABCB1ABCC1
SCHEMBL22201481 0.81 CSF1R (0.37) ABCG2MAPTP2RX3ALDH1A1ABCB1
SCHEMBL22201368 0.75 SYK (0.45) ABCG2P2RX3ALDH1A1ABCB1
SCHEMBL22201273 0.74 SYK (0.37) MAPTP2RX3ALDH1A1
SCHEMBL22201366 0.74 MAPT (0.39) ABCG2MAPTHTTALDH1A1L3MBTL1
SCHEMBL22201537 0.74 KDM4E (0.42) MAPTP2RX3ALDH1A1
SCHEMBL22201586 0.74 PRKCH (0.47) ABCG2MAPTALDH1A1ABCB1

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed