SCHEMBL6624598

SCHEMBL6624598

BrCc1cccc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.35
AOC3 Q16853 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
AGTR1 P30556 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL27513409 0.90 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1L3MBTL1POLB
SCHEMBL6618044 0.87 RAB9A (0.46) SMN1; SMN2RAB9ANPC1L3MBTL1POLB
SCHEMBL5091164 0.85 POLB (0.43) SMN1; SMN2RAB9ANPC1L3MBTL1POLB
SCHEMBL7749400 0.85 AGTR1 (0.42) SMN1; SMN2RAB9ANPC1L3MBTL1POLB
SCHEMBL9365044 0.84 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1L3MBTL1POLB
SCHEMBL4639604 0.82 RAB9A (0.42) SMN1; SMN2RAB9ANPC1L3MBTL1POLB
SCHEMBL4638378 0.81 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1L3MBTL1POLB
SCHEMBL4639478 0.80 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1L3MBTL1POLB
SCHEMBL30676079 0.80 HPGD (0.45) SMN1; SMN2RAB9ANPC1L3MBTL1POLB
SCHEMBL6617494 0.80 LMNA (0.46) SMN1; SMN2RAB9ANPC1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891362-B1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LTD (GB) 2004-03-17 EP disclosed
CN-1067075-C Pyrrolopyrrolone derivatives as inhibitors of neutrophil elastase GLAXO GROUP LTD (GB) 2001-06-13 CN disclosed
US-6215002-B1 CYCLIZATION, DEBLOCKING, DEPROTECTION, SULFONATION, CONDENSATION, AMIDATION; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS GLAXO WELLCOME INC. 2001-04-10 US disclosed
US-6057457-A ENZYME INHIBITORS FOR PROTEASE OR ENZYMES OF HYDROLYSIS GLAXO WELLCOME INC. (US) 2000-05-02 US disclosed
US-5994344-A BRONCHITIS THERAPY GLAXO WELLCOME INC. (US) 1999-11-30 US disclosed
EP-0891362-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-01-20 EP disclosed
WO-1997036903-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1997-10-09 WO disclosed