SCHEMBL9501827

SCHEMBL9501827

COc1cccc2c(OC(C)C)c(C(=O)Nc3nnn[nH]3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
JAK2 O60674 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAPT P10636 2/20 0.37
PLK1 P53350 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL9501813 0.83 HTT (0.45) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10693184 0.82 PDE4D (0.36) POLBNPC1RAB9ASMN1; SMN2PDE4A
SCHEMBL10690737 0.82 PDE4D (0.36) POLBNPC1RAB9ASMN1; SMN2PDE4A
SCHEMBL10690904 0.82 PDE4D (0.36) POLBNPC1RAB9ASMN1; SMN2PDE4A
SCHEMBL9501844 0.81 PLG (0.43) NPC1RAB9ASMN1; SMN2JAK2MAPT
SCHEMBL11110352 0.80 POLB (0.57) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL10372763 0.80 MPO (0.44) POLBNPC1RAB9ATP53MAPT
SCHEMBL10372540 0.80 MAPT (0.35) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9501851 0.80 MPO (0.48) NPC1RAB9ASMN1; SMN2JAK2MAPT
SCHEMBL9501510 0.78 MPO (0.41) NPC1RAB9ATP53SMN1; SMN2MAPT

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 5 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
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