SCHEMBL11640904

SCHEMBL11640904

O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1OCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
LMNA P02545 4/20 0.54
AGTR1 P30556 1/20 0.54
RAB9A P51151 3/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.49
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44

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
SCHEMBL11643183 0.92 ALDH1A1 (0.52) ALDH1A1LMNAAGTR1RAB9APTGDR2
SCHEMBL11641612 0.87 ALDH1A1 (0.52) ALDH1A1LMNAAGTR1RAB9APTGDR2
SCHEMBL11637624 0.83 SMN1; SMN2 (0.52) ALDH1A1LMNAAGTR1RAB9APTGDR2
SCHEMBL11638837 0.82 SMN1; SMN2 (0.51) ALDH1A1LMNAAGTR1RAB9APTGDR2
SCHEMBL11638432 0.82 RAB9A (0.54) ALDH1A1LMNAAGTR1RAB9APTGDR2
SCHEMBL11644199 0.82 PTGDR2 (0.60) ALDH1A1LMNAAGTR1RAB9APTGDR2
SCHEMBL11736604 0.82 PTGDR2 (0.53) ALDH1A1LMNAPTGDR2SMN1; SMN2GAA
SCHEMBL28985967 0.81 DRD2 (0.62) ALDH1A1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL30317447 0.81 DRD2 (0.62) ALDH1A1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL28490932 0.81 ALDH1A1 (0.76) ALDH1A1LMNAAGTR1RAB9ARECQL

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
US-4125538-A ANALGESIC, ANTITUSSIVE BRISTOL-MYERS COMPANY (US) 1978-11-14 US disclosed