SCHEMBL6667087

SCHEMBL6667087

Nc1cncc2c1c(I)nn2-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SRC P12931 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL14693420 0.85 MAPT (0.46) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL5819432 0.77 XDH (0.43) MAPTMEN1KMT2AXDHALDH1A1
SCHEMBL5803258 0.74 XDH (0.58) MAPTMEN1KMT2AXDHALDH1A1
SCHEMBL3124098 0.70 XDH (0.53) MAPTMEN1KMT2AXDHALDH1A1
SCHEMBL6641795 0.68 HTT (0.49) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL6852637 0.66 NPC1 (0.53) MAPTMEN1KMT2AXDHALDH1A1
SCHEMBL14693600 0.64 XDH (0.46) MAPTMEN1KMT2AXDHALDH1A1
SCHEMBL11700029 0.64 MAPT (0.47) MAPTMEN1KMT2AXDHALDH1A1
SCHEMBL30163022 0.64 NPC1 (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5408760 0.62 POLB (0.55) MAPTMEN1KMT2AXDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 — — EP disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 — — EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 — — WO disclosed
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