SCHEMBL4426339

SCHEMBL4426339

O=C(NCCNC(CC(c1ccccc1)c1ccccc1)C(=O)c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HAT1 O14929 11/20 0.48
EP300 Q09472 11/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
CDK4 P11802 2/20 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
SCHEMBL4420768 0.88 HDAC1 (0.47) MEN1KMT2ANPC1RAB9AHAT1
SCHEMBL4413853 0.77 CREBBP (0.49) KMT2AEP300HDAC1HDAC2
SCHEMBL3173586 0.77 MEN1 (0.49) MEN1KMT2ANPC1RAB9AHAT1
SCHEMBL20267057 0.76 HDAC1 (0.62) MEN1KMT2ANPC1RAB9AHDAC1
SCHEMBL4414234 0.76 KMT2A (0.51) KMT2AHDAC1HDAC2
SCHEMBL4272168 0.73 EPHX2 (0.37)
SCHEMBL4415025 0.72 KMT2A (0.39) KMT2AHDAC1HDAC3
SCHEMBL7960871 0.72 HDAC1 (0.60) MEN1KMT2ANPC1RAB9AHDAC1
SCHEMBL10288963 0.71 HDAC1 (0.62) MEN1KMT2ANPC1HDAC1HDAC2
SCHEMBL23162787 0.70 ADAM17 (0.59) NPC1RAB9AHDAC1HDAC2HDAC3

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-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed