SCHEMBL7361622

SCHEMBL7361622

CCC(=O)C(=O)N(Cc1ccc(OC)cc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 2/20 0.46
PTPN1 P18031 1/20 0.46
BCL2A1 Q16548 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.43
MMP1 P03956 3/20 0.43
MMP9 P14780 3/20 0.43
MMP13 P45452 3/20 0.43
MMP2 P08253 2/20 0.43
MMP8 P22894 2/20 0.43
CA2 P00918 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7319626 0.88 ALDH1A1 (0.48) ALDH1A1LMNAKMT2A
SCHEMBL7361629 0.88 ALDH1A1 (0.53) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL7331811 0.81 SNCA (0.54) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL10357380 0.79 ALDH1A1 (0.52) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL7324184 0.76 SMN1; SMN2 (0.46) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7319630 0.76 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2RAB9AMAPK1
SCHEMBL7328791 0.76 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7328061 0.75 TP53 (0.43) ALDH1A1LMNANPC1MAPK1KMT2A
SCHEMBL7319639 0.73 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2MAPK1KMT2A
SCHEMBL13729331 0.72 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AMMP1MMP9

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
US-5075304-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-12-24 US disclosed
EP-0344943-A1 Imidazoquinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-12-06 EP disclosed