SCHEMBL11733765

SCHEMBL11733765

CC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
HTT P42858 1/20 0.64
CXCR1 P25024 1/20 0.62
CXCR2 P25025 1/20 0.62
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
PABPC1 P11940 1/20 0.59
DUSP3 P51452 1/20 0.59
PTPN5 P54829 1/20 0.59
PTPN11 Q06124 1/20 0.59
EIF4H Q15056 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
KCNMA1 Q12791 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
MAPT P10636 5/20 0.54
GAA P10253 5/20 0.54
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL8407433 0.88 CXCR1 (0.62) SMN1; SMN2LMNAHTTCXCR1CXCR2
SCHEMBL4971640 0.86 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTCXCR1CXCR2
SCHEMBL11874002 0.83 CXCR1 (0.68) SMN1; SMN2LMNAHTTCXCR1CXCR2
SCHEMBL915213 0.83 MEN1 (0.64) SMN1; SMN2LMNAHTTCXCR1CXCR2
SCHEMBL1663739 0.82 MAPT (0.56) SMN1; SMN2LMNAKMT2AMEN1RAB9A
SCHEMBL4380684 0.82 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTCXCR1CXCR2
SCHEMBL7161691 0.82 MAPT (0.74) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL1024223 0.81 CXCR2 (0.68) SMN1; SMN2LMNAHTTCXCR1CXCR2
SCHEMBL1024222 0.81 CXCR2 (0.68) SMN1; SMN2LMNAHTTCXCR1CXCR2
SCHEMBL8407519 0.81 MAPT (0.64) SMN1; SMN2LMNAHTTKMT2AMEN1

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
US-4025642-A ANTIALLERGENS SMITHKLINE CORPORATION (US) 1977-05-24 US disclosed