SCHEMBL8323402

SCHEMBL8323402

[CH2]C(NC)C(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.50
ALDH1A1 P00352 5/20 0.47
ACP3 P15309 3/20 0.47
CA4 P22748 1/20 0.43
LTA4H P09960 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.40
MITF O75030 1/20 0.40

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
SCHEMBL5941221 0.81 PBRM1 (0.62) PBRM1ALDH1A1ACP3CA4LTA4H
SCHEMBL8429413 0.81 PBRM1 (0.62) PBRM1ALDH1A1ACP3CA4LTA4H
SCHEMBL8323074 0.80 PBRM1 (0.54) PBRM1ALDH1A1ACP3CA4LTA4H
SCHEMBL2123177 0.79 ACP3 (0.58) PBRM1ALDH1A1ACP3CA4LTA4H
SCHEMBL8324974 0.79 KMT2A (0.40) ALDH1A1PKMMAPTNPC1NPSR1
SCHEMBL25791341 0.78 TDP1 (0.54) PBRM1ALDH1A1ACP3CA4LTA4H
SCHEMBL13184504 0.78 TDP1 (0.54) PBRM1ALDH1A1ACP3CA4LTA4H
SCHEMBL13164290 0.76 CA4 (0.58) PBRM1ALDH1A1ACP3CA4LTA4H
SCHEMBL682837 0.76 CA4 (0.58) PBRM1ALDH1A1ACP3CA4LTA4H
Hydrochloric Acid SCHEMBL20524446 0.74 ACP3 (0.46) PBRM1ALDH1A1ACP3TDP1NPSR1

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
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed