SCHEMBL30050403

SCHEMBL30050403

Cc1c(Oc2cnc3c(c2)ncn3C)ccc([N+](=O)[O-])c1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 2/20 0.36
MAPT P10636 7/20 0.36
LMNA P02545 5/20 0.36
HTT P42858 4/20 0.36
GAA P10253 1/20 0.36
HSPB1 P04792 1/20 0.35
DOT1L Q8TEK3 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
BRAF P15056 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL30051419 0.89 GRM5 (0.40) GRM5ALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL24569747 0.84 KMT2A (0.43) ALDH1A1SMN1; SMN2PKMMAPTLMNA
SCHEMBL30049938 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2PKMMAPTLMNA
SCHEMBL30050598 0.82 GRM5 (0.39) GRM5ALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL24807701 0.81 GRM5 (0.42) GRM5DOT1LBRAF
SCHEMBL30050420 0.81 GRM5 (0.42) GRM5DOT1LBRAF
SCHEMBL30050656 0.80 L3MBTL1 (0.46) GRM5ALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL29197501 0.79 GRM5 (0.38) GRM5ALDH1A1MAPTLMNAHTT
SCHEMBL29197364 0.79 GRM5 (0.38) GRM5ALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL30051353 0.78 GRM5 (0.40) GRM5ALDH1A1SMN1; SMN2PKMMAPT

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-2022269531-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-12-29 WO disclosed