SCHEMBL9502628

SCHEMBL9502628

COc1ccc2ccc(C(=O)Nc3nnn[nH]3)c(OC)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MTNR1A P48039 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TYK2 P29597 2/20 0.40
JAK2 O60674 1/20 0.40
HPGDS O60760 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.39
MPO P05164 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38

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 0.91 MPO (0.48) RAB9ANPC1MEN1KMT2AMTNR1A
SCHEMBL9501510 0.84 MPO (0.41) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL9501844 0.83 PLG (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11559729 0.82 KLKB1 (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11559083 0.80 P2RX1 (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9247114 0.79 MPO (0.56) RAB9ANPC1MEN1KMT2AMTNR1A
SCHEMBL10372642 0.78 NPC1 (0.50) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10690439 0.77 NPC1 (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10370990 0.76 KDM4E (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10373515 0.75 KDM4E (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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