SCHEMBL14644646

SCHEMBL14644646

c1ccc2c(c1)sc1cc3c4ccc(-c5nc(-c6ccncc6)cc(-c6ccncc6)n5)cc4c4ccccc4c3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DHODH Q02127 1/20 0.38
GPR3 P46089 1/20 0.36
CYP19A1 P11511 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
NTSR1 P30989 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL22097264 0.91 MEN1 (0.43) KDM4ERAB9AALDH1A1MAPTHPGD
SCHEMBL22249658 0.87 KMT2A (0.40) KDM4EALDH1A1MAPTHPGDDHODH
SCHEMBL22249719 0.87 KMT2A (0.40) KDM4EALDH1A1MAPTHPGDDHODH
SCHEMBL22097088 0.87 MEN1 (0.45) KDM4ERAB9AALDH1A1MAPTHPGD
SCHEMBL22096974 0.87 MEN1 (0.45) KDM4ERAB9AALDH1A1MAPTHPGD
SCHEMBL22097269 0.86 MEN1 (0.44) KDM4ERAB9AALDH1A1MAPTHPGD
SCHEMBL22097287 0.86 MEN1 (0.44) KDM4ERAB9AALDH1A1MAPTHPGD
SCHEMBL19172254 0.85 DHODH (0.48) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL18960975 0.84 MEN1 (0.45) KDM4ERAB9AALDH1A1MAPTHPGD
SCHEMBL19165259 0.84 DHODH (0.42) KDM4ERAB9ANPC1ALDH1A1MAPT

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-2013009079-A1 TRIPHENYLENE-BASED COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE USING SAME 주식회사 두산 (KR) 2013-01-17 WO disclosed