SCHEMBL4749308

SCHEMBL4749308

O=C(CCN1CCCC1)Nc1cc(C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 2/20 0.62
POLB P06746 1/20 0.62
ALOX5 P09917 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.54
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
RECQL P46063 1/20 0.53
PKM P14618 1/20 0.51
TERT O14746 1/20 0.49
MEN1 O00255 1/20 0.47

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
SCHEMBL4749787 0.95 ALOX5 (0.57) LMNAKMT2AALDH1A1POLBALOX5
SCHEMBL4748961 0.90 CYP2D6 (0.65) LMNAALDH1A1POLBALOX5SMN1; SMN2
SCHEMBL4750027 0.89 KMT2A (0.65) LMNAKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL4750190 0.83 CYP2D6 (0.74) LMNAKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL4748864 0.82 ALDH1A1 (0.68) LMNAKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL15092821 0.82 CYP2D6 (0.76) LMNAKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL4745790 0.81 ALOX5 (0.64) KMT2AALDH1A1POLBALOX5SMN1; SMN2
SCHEMBL4745815 0.81 ALOX5 (0.71) LMNAKMT2AALDH1A1POLBALOX5
SCHEMBL4748598 0.81 CYP1A2 (0.67) LMNAKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL4746764 0.80 LMNA (0.75) LMNAKMT2AALDH1A1POLBTERT

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
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed