SCHEMBL30200323

SCHEMBL30200323

CC(C)(C)c1cc(N=Nc2ccc(Cl)cc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
HTT P42858 4/20 0.40
GALR3 O60755 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
GPR35 Q9HC97 1/20 0.38
LMNA P02545 4/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 5/20 0.37
MAPK1 P28482 4/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL6870907 1.00 MEN1 (0.40) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL6870910 1.00 MEN1 (0.40) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL30200284 1.00 MEN1 (0.40) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL9327604 0.91 KMT2A (0.40) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL9866027 0.91 KMT2A (0.40) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL7524143 0.89 KIF18A (0.40) MEN1KMT2AHTTL3MBTL1PSEN1
SCHEMBL7524148 0.89 KIF18A (0.40) MEN1KMT2AHTTL3MBTL1PSEN1
SCHEMBL29603532 0.88 MEN1 (0.41) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL7759721 0.88 MEN1 (0.41) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL7759727 0.88 MEN1 (0.41) MEN1KMT2AHTTGALR3SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115608398-A M-N-C catalyst and application thereof in synthesis of benzotriazole compounds 天津大学 2023-01-17 CN disclosed