SCHEMBL3170359

SCHEMBL3170359

CC(=O)NCCNc1cc(NCCNC(=O)Cc2cccc([N+](=O)[O-])c2)nc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PDE5A O76074 1/20 0.39
GAA P10253 1/20 0.39
CXCR3 P49682 1/20 0.39
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
THRB P10828 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL3163028 0.90 KMT2A (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3164802 0.86 L3MBTL1 (0.52) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL3174225 0.86 TP53 (0.43) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL3170639 0.86 KMT2A (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3171330 0.85 CA1 (0.48) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3162285 0.83 HRH4 (0.44) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL3169166 0.82 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3171377 0.82 ALDH1A1 (0.56) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL3171389 0.82 ALDH1A1 (0.56) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL3166477 0.81 MAPT (0.61) L3MBTL1MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465631-B1 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-02-24 EP disclosed