SCHEMBL28237972

SCHEMBL28237972

Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ HTT P42858 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TDP1 Q9NUW8 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CCR6 P51684 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NLRP1 Q9C000 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ TSHR P16473 4/20 0.35
▸ CYP3A4 P08684 2/20 0.35

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
SCHEMBL13743330 0.79 HSD17B10 (0.45) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL25422711 0.77 TDP1 (0.42) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL2766413 0.70 LMNA (0.43) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL4492163 0.68 CTSD (0.54) MAPTHTTKDM4ETDP1ALDH1A1
SCHEMBL11383176 0.67 SCN2A (0.46) MAPTHTTTDP1ALDH1A1POLB
SCHEMBL21960925 0.67 MAPT (0.42) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL480361 0.66 MAPT (0.50) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL15591482 0.64 MAPT (0.44) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL16243453 0.64 MAPT (0.48) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL7235118 0.64 GRIA1 (0.47) MAPTHTTNPSR1LMNAKDM4E

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-108484449-A Composition, method and system for synthesizing and using developer 蓝瑟斯医学影像公司 2018-09-04 — — CN disclosed
Send feedback