SCHEMBL28259240

SCHEMBL28259240

COc1cccc2cccnc12.c1cc2cc-2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
LMNA P02545 4/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 2/20 0.59
PDE10A Q9Y233 1/20 0.57
ALDH1A1 P00352 4/20 0.51
MAPT P10636 5/20 0.50
KDM4E B2RXH2 5/20 0.50
GAA P10253 3/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
MAPK1 P28482 1/20 0.50
HPGDS O60760 1/20 0.49
MCHR1 Q99705 1/20 0.49
POLB P06746 2/20 0.48
SLC40A1 Q9NP59 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL170428 0.91 MEN1 (0.68) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL30614510 0.91 MEN1 (0.68) MEN1KMT2ALMNARAB9ASMN1; SMN2
Ethane SCHEMBL27458330 0.89 MEN1 (0.66) MEN1KMT2ALMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6418353 0.89 MEN1 (0.66) MEN1KMT2ALMNARAB9ASMN1; SMN2
Water SCHEMBL10865815 0.89 MEN1 (0.66) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL27453447 0.81 RAB9A (0.61) MEN1KMT2ALMNARAB9ASMN1; SMN2
Toluene SCHEMBL27569075 0.81 LMNA (0.57) MEN1KMT2ALMNARAB9ASMN1; SMN2
Acetic Acid SCHEMBL8159401 0.81 PDE10A (0.60) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL8928619 0.79 MEN1 (0.54) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL12926855 0.77 PDE10A (0.59) MEN1KMT2ALMNARAB9ASMN1; 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
CN-108947898-A Organic photoelectric functional material and application thereof 南京工业大学 2018-12-07 CN disclosed