SCHEMBL17033664

SCHEMBL17033664

Fc1cccc(-c2cc(-c3cccc(F)c3)nc(-n3c4ccccc4c4cc5nc6c7ccccc7c7ccccc7n6c5cc43)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 5/20 0.34
HTT P42858 2/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ADORA2A P29274 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ACP1 P24666 1/20 0.32
SYK P43405 1/20 0.32
TP53 P04637 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PTGER1 P34995 1/20 0.31
CREBBP Q92793 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL16067126 0.91 ALDH1A1 (0.39) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL16066976 0.90 ALDH1A1 (0.39) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL17033701 0.87 HPGD (0.39) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL17033405 0.85 KDM4E (0.34) ALDH1A1KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL17033510 0.84 KDM4E (0.35) ALDH1A1KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL16066196 0.82 ALDH1A1 (0.39) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL16066543 0.82 KDM4E (0.42) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL16066958 0.82 ALDH1A1 (0.39) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL17033537 0.82 KDM4E (0.33) ALDH1A1KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL16066779 0.81 KDM4E (0.43) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed