SCHEMBL8306088

SCHEMBL8306088

O=C(Nc1n[nH]c2ccccc12)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.48
KMT2A Q03164 4/20 0.47
IRAK4 Q9NWZ3 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MCL1 Q07820 1/20 0.47
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR3 P22607 1/20 0.46
CDK2 P24941 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CASP6 P55212 1/20 0.43
HCAR3 P49019 1/20 0.43
CDK7 P50613 1/20 0.43
ALPL P05186 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL627865 0.84 ABCG2 (0.57) HDAC6KMT2AMAPTSMN1; SMN2FGFR1
SCHEMBL628824 0.81 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2MEN1ALDH1A1CYP3A4
SCHEMBL627825 0.81 KMT2A (0.52) HDAC6KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL626056 0.78 MEN1 (0.54) KMT2AMAPTSMN1; SMN2MEN1POLB
SCHEMBL627899 0.78 FGFR1 (0.65) HDAC6IRAK4FGFR1FGFR2FGFR3
SCHEMBL31040239 0.78 FGFR1 (0.65) HDAC6IRAK4FGFR1FGFR2FGFR3
SCHEMBL622021 0.76 FLT3 (0.59) HDAC6FGFR1FGFR2FGFR3CDK2
SCHEMBL628194 0.76 HDAC6 (0.64) HDAC6KMT2AMAPTFGFR1FGFR2
SCHEMBL5672888 0.76 POLB (0.51) HDAC6KMT2AMAPTFGFR1FGFR2
SCHEMBL4008807 0.75 CDK2 (0.70) HDAC6KMT2AIRAK4MAPTFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934068-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 WO disclosed