SCHEMBL21868024

SCHEMBL21868024

c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3c(-c4ccc5ccccc5n4)cccc32)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.41
NPC1 O15118 10/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
AR P10275 8/20 0.40
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 4/20 0.37
TP53 P04637 4/20 0.37
KDM4E B2RXH2 4/20 0.37
PKM P14618 3/20 0.37

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
SCHEMBL24647378 0.87 NPC1 (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL21867874 0.83 NPC1 (0.45) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL21868069 0.82 NPC1 (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL24905685 0.81 ACACA (0.36) RAB9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL24648293 0.79 AR (0.36) RAB9ANPC1SMN1; SMN2ARCYP1A2
SCHEMBL24293498 0.79 NPC1 (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL24648298 0.79 ALDH1A1 (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL669871 0.78 RAB9A (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL24293492 0.77 NPC1 (0.45) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL20174335 0.77 NPC1 (0.41) RAB9ANPC1MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 WO disclosed