SCHEMBL6086252

SCHEMBL6086252

Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cccc(Br)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.40
KMT2A Q03164 3/20 0.33
TLR7 Q9NYK1 1/20 0.32
MEN1 O00255 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
FAAH O00519 1/20 0.31
BRAF P15056 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 2/20 0.31
PSMD14 O00487 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL7854087 0.93 ACKR3 (0.36) ACKR3
SCHEMBL6087230 0.89 KMT2A (0.33) KMT2ATLR7MEN1TDP1TPH1
SCHEMBL6097406 0.87 ACKR3 (0.38) ACKR3KMT2ATLR7MEN1TDP1
SCHEMBL6636863 0.85 GRIN1 (0.44) KMT2ATLR7TPH1TPH2KDM4E
SCHEMBL6088424 0.85 CYP1A2 (0.38) KMT2AMEN1TDP1HPGDKDM4E
SCHEMBL10204275 0.83 KMT2A (0.35) KMT2ATLR7MEN1TDP1KDM5B
SCHEMBL501440 0.83 MEN1 (0.31) KMT2AMEN1TDP1HPGDKDM4E
SCHEMBL6089258 0.82 KMT2A (0.41) KMT2ATLR7MEN1HPGDKDM4E
SCHEMBL6088109 0.81 KMT2A (0.37) KMT2AMEN1TDP1TPH1TPH2
SCHEMBL6085624 0.81 TYMS (0.36) KMT2AMEN1TDP1TPH1TPH2

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
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed