SCHEMBL16066431

SCHEMBL16066431

c1ccc(-c2ccc(-c3ccnc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8c8nc9ccccc9n8c7cc65)c4)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
MAPT P10636 7/20 0.42
NPSR1 Q6W5P4 3/20 0.42
PTK2B Q14289 1/20 0.42
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
POLB P06746 3/20 0.37
HTT P42858 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
PPP1CA P62136 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL16066451 0.98 KMT2A (0.41) KMT2AMAPTNPSR1PTK2BKDM4E
SCHEMBL16066563 0.88 KDM4E (0.43) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL17253888 0.87 MAPT (0.46) KMT2AMAPTNPSR1PTK2BKDM4E
SCHEMBL16066549 0.87 KDM4E (0.47) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL16066450 0.87 KDM4E (0.41) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL16066879 0.87 MAPT (0.40) KMT2AMAPTNPSR1PTK2BKDM4E
SCHEMBL16066522 0.86 KDM4E (0.43) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL16066561 0.86 KDM4E (0.44) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL16066422 0.86 MAPT (0.33) KMT2AMAPTNPSR1PTK2BKDM4E
SCHEMBL16066488 0.85 KDM4E (0.42) KMT2AMAPTNPSR1KDM4EALDH1A1

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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed