SCHEMBL7361629

SCHEMBL7361629

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PTPN1 P18031 1/20 0.43
MAPT P10636 1/20 0.43
BCL2A1 Q16548 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
TSPO P30536 2/20 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
SCHEMBL7319630 0.90 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2MAPK1RAB9A
SCHEMBL7361622 0.88 ALDH1A1 (0.56) ALDH1A1LMNAHPGDSMN1; SMN2MAPK1
SCHEMBL7331816 0.83 SNCA (0.52) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL7324191 0.79 SMN1; SMN2 (0.43) ALDH1A1LMNASMN1; SMN2MAPK1NPC1
SCHEMBL7328793 0.79 L3MBTL1 (0.47) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7328071 0.78 RXFP1 (0.45) ALDH1A1MAPK1NPC1RAB9AMAPT
SCHEMBL7319642 0.76 SMN1; SMN2 (0.42) ALDH1A1LMNASMN1; SMN2MAPK1RAB9A
SCHEMBL10357380 0.76 ALDH1A1 (0.52) ALDH1A1LMNAHPGDSMN1; SMN2MAPK1
SCHEMBL7319626 0.75 ALDH1A1 (0.48) ALDH1A1LMNAKMT2A
SCHEMBL8470246 0.75 CES2 (0.45) ALDH1A1LMNASMN1; SMN2MAPK1RAB9A

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