SCHEMBL7308723

SCHEMBL7308723

O=c1ccc2c(OCCCc3nnnn3-c3ccccc3)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
HTT P42858 1/20 0.43
NLRP3 Q96P20 1/20 0.43
HSD11B1 P28845 5/20 0.42
MCL1 Q07820 3/20 0.41
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALB P02768 1/20 0.40
BCL2 P10415 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL7312759 0.90 ALDH1A1 (0.37) PKMHTTNLRP3HSD11B1MCL1
SCHEMBL7320366 0.88 ADORA3 (0.35) PKMHTTNLRP3HSD11B1MCL1
SCHEMBL7315475 0.88 PKM (0.44) PKMHTTNLRP3HSD11B1ALDH1A1
SCHEMBL7312087 0.84 MCL1 (0.39) HTTMCL1ALDH1A1KMT2ATSHR
SCHEMBL7316415 0.80 MCL1 (0.36) PKMMCL1ALDH1A1ALBBCL2
SCHEMBL7310025 0.80 PKM (0.44) PKMHTTNLRP3HSD11B1MCL1
SCHEMBL7317051 0.79 PDE3B (0.50) HTTHSD11B1ALDH1A1KMT2ATSHR
SCHEMBL7314477 0.79 PPARA (0.45) PKMHTTNLRP3HSD11B1MCL1
SCHEMBL7316412 0.78 MCL1 (0.34) MCL1ALDH1A1KMT2ATSHRMEN1
SCHEMBL7316056 0.77 PDE3B (0.41) MCL1ALDH1A1KMT2ATSHRLMNA

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-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed