SCHEMBL9501844

SCHEMBL9501844

COc1ccc2c(OC(C)C)c(C(=O)Nc3nnn[nH]3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.43
KLK1 P06870 2/20 0.43
KLK6 Q92876 2/20 0.43
MPO P05164 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ICAM1 P05362 2/20 0.39
SELE P16581 2/20 0.39
TYK2 P29597 2/20 0.39
JAK2 O60674 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
TACR3 P29371 1/20 0.37

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
SCHEMBL9501851 0.93 MPO (0.48) PLGKLK1KLK6MPOCYSLTR1
SCHEMBL9501510 0.88 MPO (0.41) PLGMPOCYSLTR1NPC1RAB9A
SCHEMBL9501813 0.84 HTT (0.45) PLGKLK1KLK6NPC1RAB9A
SCHEMBL9502628 0.83 RAB9A (0.43) PLGKLK1KLK6MPOCYSLTR1
SCHEMBL10690439 0.83 NPC1 (0.47) MPOCYSLTR1NPC1RAB9AKDM4E
SCHEMBL9501827 0.81 POLB (0.40) NPC1RAB9AKDM4ESMN1; SMN2JAK2
SCHEMBL6568731 0.80 MPO (0.59) MPOCYSLTR1NPC1RAB9AKDM4E
SCHEMBL10336010 0.79 MPO (0.42) MPOCYSLTR1NPC1RAB9AKDM4E
SCHEMBL6440669 0.78 MPO (0.69) MPOCYSLTR1NPC1RAB9AKDM4E
SCHEMBL8767124 0.77 MPO (0.68) MPOCYSLTR1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279466-B1 NOVEL NAPHTHALENE DERIVATIVES AND ANTIALLERGY AND ANTI-INFLAMMATORY PHARMACEUTICALS WARNER-LAMBERT COMPANY (US) 1993-05-19 EP claimed
US-4767776-A N-1H-tetrazol-5-yl-2-naphthalene carboxamides and their use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-30 US claimed
EP-0279466-A2 Novel naphthalene derivatives and antiallergy and anti-inflammatory pharmaceuticals WARNER-LAMBERT COMPANY (US) 1988-08-24 EP claimed
EP-0279466-B1 NOVEL NAPHTHALENE DERIVATIVES AND ANTIALLERGY AND ANTI-INFLAMMATORY PHARMACEUTICALS WARNER-LAMBERT COMPANY (US) 1993-05-19 EP disclosed
US-4767776-A N-1H-tetrazol-5-yl-2-naphthalene carboxamides and their use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-30 US disclosed
EP-0279466-A2 Novel naphthalene derivatives and antiallergy and anti-inflammatory pharmaceuticals WARNER-LAMBERT COMPANY (US) 1988-08-24 EP disclosed