SCHEMBL4774679

SCHEMBL4774679

O=[N+]([O-])c1ccc(-c2nc(Cl)cc(C3CCCCC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
HSP90AA1 P07900 1/20 0.43
PSD A5PKW4 3/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTT P42858 2/20 0.39
NPC1 O15118 3/20 0.38
POLB P06746 3/20 0.38
TNFSF10 P50591 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX5 P09917 1/20 0.38
PKM P14618 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASP3 P42574 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
SCHEMBL629172 0.80 MAPT (0.53) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL4780673 0.74 CYP11B1 (0.45) KMT2AMEN1MAPTCYP1A2CYP2C9
SCHEMBL629576 0.70 MAPT (0.48) PSDKMT2AMEN1MAPTALDH1A1
SCHEMBL628013 0.70 MEN1 (0.49) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL29769219 0.70 XDH (0.58) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL629287 0.69 MEN1 (0.51) RAB9APSDKMT2AMEN1MAPT
SCHEMBL1409329 0.69 NPC1 (0.50) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL9983363 0.68 ALDH1A1 (0.64) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL10559120 0.68 MEN1 (0.62) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL2117163 0.68 NPC1 (0.49) RAB9AKMT2AMEN1MAPTALDH1A1

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-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed