SCHEMBL29488570

SCHEMBL29488570

Cc1cc(N=Nc2ccccc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTPN11 Q06124 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GALR3 O60755 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR35 Q9HC97 2/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
PLAU P00749 1/20 0.41
CES2 O00748 2/20 0.41
ACHE P22303 2/20 0.41
CES1 P23141 2/20 0.41
CYP1A2 P05177 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9178108 1.00 NPC1 (0.44) NPC1RAB9APTPN11SMN1; SMN2MEN1
SCHEMBL9178099 1.00 NPC1 (0.44) NPC1RAB9APTPN11SMN1; SMN2MEN1
SCHEMBL9007267 0.87 NPC1 (0.44) NPC1RAB9APTPN11SMN1; SMN2MEN1
SCHEMBL9007271 0.87 NPC1 (0.44) NPC1RAB9APTPN11SMN1; SMN2MEN1
SCHEMBL9176480 0.87 NPC1 (0.41) NPC1RAB9APTPN11SMN1; SMN2MEN1
SCHEMBL9327701 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AGALR3HTT
SCHEMBL7759727 0.84 MEN1 (0.41) SMN1; SMN2MEN1KMT2AGALR3HTT
SCHEMBL7759721 0.84 MEN1 (0.41) SMN1; SMN2MEN1KMT2AGALR3HTT
SCHEMBL29603532 0.84 MEN1 (0.41) SMN1; SMN2MEN1KMT2AGALR3HTT
SCHEMBL9867287 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AGALR3HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114231012-B Low-pollution high-absorption blue-light-resistant master batch and preparation method thereof 江门市严恩化工科技有限公司 2023-04-25 CN claimed
CN-114231012-A Low-color-stain high-absorption blue-light-proof master batch and preparation method thereof 江门市严恩化工科技有限公司 2022-03-25 CN claimed
CN-114231012-B Low-pollution high-absorption blue-light-resistant master batch and preparation method thereof 江门市严恩化工科技有限公司 2023-04-25 CN disclosed
CN-114231012-A Low-color-stain high-absorption blue-light-proof master batch and preparation method thereof 江门市严恩化工科技有限公司 2022-03-25 CN disclosed