SCHEMBL9617124

SCHEMBL9617124

CCCCNC(=O)c1c(O)cc(O)c([N+](=O)[O-])c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.41
MGLL Q99685 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NR5A2 O00482 1/20 0.40
NR5A1 Q13285 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
NAAA Q02083 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
GAA P10253 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL3363193 0.95 NAAA (0.47) MGLLNAAAFFAR1PLA2G2APLA2G5
SCHEMBL12902000 0.95 NAAA (0.47) MGLLNAAAFFAR1PLA2G2APLA2G5
SCHEMBL29588752 0.95 NAAA (0.47) MGLLNAAAFFAR1PLA2G2APLA2G5
SCHEMBL8025618 0.72 COMT (0.40) ALDH1A1MAPTALOX12MGLLHDAC1
SCHEMBL11859482 0.71 LMNA (0.46) SMN1; SMN2ALDH1A1MAPTALOX12MGLL
SCHEMBL9617118 0.71 CA1 (0.51) SMN1; SMN2ALDH1A1MAPTALOX12MEN1
SCHEMBL156116 0.71 KDM4E (0.46) SMN1; SMN2ALDH1A1MAPTALOX12TSHR
SCHEMBL28079519 0.70 LMNA (0.63) SMN1; SMN2ALDH1A1MAPTALOX12HTT
SCHEMBL5506840 0.70 PKM (0.63) SMN1; SMN2ALDH1A1MAPTALOX12MGLL
SCHEMBL11860562 0.69 HTT (0.47) SMN1; SMN2ALDH1A1MAPTALOX12MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4217916-A None JP disclosed
JP-H04217916-A ANTI-INFLAMMATORY AGENT JAPAN TOBACCO INC 1992-08-07 JP disclosed