SCHEMBL18965463

SCHEMBL18965463

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(-c7cccc8cc(-c9ccc(-c%10cc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9)ccc78)cccc6c5)cc4)n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
ALDH1A1 P00352 8/20 0.56
HPGD P15428 8/20 0.56
MAPT P10636 7/20 0.56
KDM4E B2RXH2 5/20 0.53
LMNA P02545 2/20 0.53
GLA P06280 1/20 0.53
NTSR1 P30989 1/20 0.51
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL18965457 1.00 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL18965342 1.00 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL18965495 1.00 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL17655913 0.95 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL17655839 0.95 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL17655845 0.95 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL18965445 0.94 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL18965459 0.94 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL18965464 0.94 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL18965466 0.94 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDMAPT

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-2017099430-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-15 WO disclosed