SCHEMBL4746770

SCHEMBL4746770

O=C(CCCCl)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 2/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
MAPT P10636 4/20 0.60
HTT P42858 3/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 2/20 0.53
HDAC1 Q13547 1/20 0.53
HSP90AA1 P07900 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL16322249 0.95 MEN1 (0.61) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL1429699 0.90 MEN1 (0.65) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL7700654 0.90 MEN1 (0.69) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL15480439 0.89 MEN1 (0.68) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL18660186 0.89 MEN1 (0.68) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL7121725 0.84 KMT2A (0.70) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL1520465 0.84 MEN1 (0.84) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL14548190 0.84 MEN1 (0.63) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL853676 0.83 MEN1 (0.65) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL16322460 0.83 MEN1 (0.61) MEN1KMT2AALDH1A1HPGDCYP2C9

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