SCHEMBL4054662

SCHEMBL4054662

CCCCc1cc(N)n(-c2cccc(Br)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ TLR7 Q9NYK1 3/20 0.40
▸ DHFR P00374 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPC1 O15118 3/20 0.36
▸ NFKB1 P19838 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NFKB2 Q00653 3/20 0.36
▸ RELA Q04206 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CDC25B P30305 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
SCHEMBL27742966 0.84 CNR1 (0.61) CNR1CNR2ALDH1A1TLR7ALOX5
SCHEMBL27836801 0.84 CNR2 (0.45) CNR1CNR2ALDH1A1ALOX5NPC1
SCHEMBL27854790 0.84 HTT (0.47) CNR1CNR2ALDH1A1TLR7ALOX5
SCHEMBL27938671 0.83 CNR1 (0.44) CNR1CNR2ALDH1A1TLR7MAPK1
SCHEMBL27639476 0.82 CNR2 (0.43) CNR1CNR2ALDH1A1TLR7DHFR
SCHEMBL27639471 0.82 CNR1 (0.43) CNR1CNR2ALDH1A1TLR7DHFR
SCHEMBL27742975 0.82 CNR1 (0.43) CNR1CNR2ALDH1A1TLR7DHFR
SCHEMBL27854817 0.81 CTSK (0.47) CNR1CNR2DHFRALOX5CYP1A2
SCHEMBL27676098 0.78 CNR1 (0.45) CNR1CNR2ALDH1A1TLR7ALOX5
SCHEMBL27795718 0.78 CNR1 (0.44) CNR1CNR2TLR7ALOX5CYP1A2

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-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 — — EP disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 — — EP disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 — — EP disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 — — WO disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 — — WO disclosed
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