SCHEMBL31411153

SCHEMBL31411153

CC(C)Nc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.55
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ACP1 P24666 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL29508380 0.89 MEN1 (0.44) LRRK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22749289 0.89 MEN1 (0.44) LRRK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22749290 0.89 MEN1 (0.44) LRRK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10589261 0.87 GALR3 (0.49) LRRK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10448992 0.87 MAPT (0.42) LRRK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29508391 0.87 MEN1 (0.42) LRRK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10589782 0.85 MAPT (0.41) LRRK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9386488 0.85 MAPT (0.43) LRRK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2086455 0.85 MAPT (0.43) LRRK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28684164 0.84 MAPT (0.40) LRRK2MEN1KMT2AMAPTSMN1; 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-119215159-A Dendritic cell multi-antigen loaded immunotherapy method 深圳市格茵莱生物科技有限公司 2024-12-31 CN disclosed