SCHEMBL20180219

SCHEMBL20180219

N=Cc1ccc2cc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c3)ccc2c1Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE5A O76074 3/20 0.39
CSF1R P07333 2/20 0.39
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALK Q9UM73 1/20 0.37
ABCB1 P08183 2/20 0.37
KDM1A O60341 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL20180402 0.73 SIRT2 (0.43) ABCG2MEN1KMT2AMAPTTP53
SCHEMBL18878259 0.70 MAPT (0.46) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL24306497 0.70 MAPT (0.46) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL27253161 0.70 MAPT (0.46) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL23759349 0.70 HPRT1 (0.47) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL24307043 0.70 MAPT (0.46) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL24473085 0.70 HPRT1 (0.47) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL18878256 0.70 MAPT (0.46) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL24770607 0.69 ESR1 (0.53) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL23633699 0.69 ESR1 (0.53) MEN1KMT2AMAPTTP53SMN1; SMN2

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-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed