SCHEMBL4774559

SCHEMBL4774559

O=[N+]([O-])c1ccc(-c2cc(CCCc3ccccc3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
MAPT P10636 8/20 0.48
MEN1 O00255 6/20 0.48
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
PIK3CA P42336 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TLR9 Q9NR96 1/20 0.47
HTT P42858 4/20 0.46
LMNA P02545 4/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4776675 0.88 HTR7 (0.47) KMT2AMAPTALDH1A1HTTNPSR1
SCHEMBL4774593 0.85 ALDH1A1 (0.44) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL4795522 0.84 PIK3CA (0.53) MAPTALDH1A1L3MBTL1PIK3CASMN1; SMN2
SCHEMBL3718892 0.78 KMT2A (0.62) KMT2AMAPTMEN1ALDH1A1PIK3CA
SCHEMBL4793423 0.75 PIK3CA (0.43) L3MBTL1PIK3CAHTTLMNAPOLB
SCHEMBL4779650 0.75 MAPT (0.46) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL31549907 0.74 KMT2A (0.65) KMT2AMAPTMEN1ALDH1A1PIK3CA
SCHEMBL4778477 0.74 MEN1 (0.45) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL4781142 0.73 ALDH1A1 (0.48) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL4774611 0.70 LTB4R (0.47) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2

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