SCHEMBL22073252

SCHEMBL22073252

C=C/N=C1/C=CC=C/C1=C(/N)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ F12 P00748 1/20 0.31
▸ F7 P08709 1/20 0.31
▸ F3 P13726 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL16856129 0.68 F2 (0.41) MEN1KMT2AF2F10F12
SCHEMBL2870206 0.65 KMT2A (0.50) AKT1MEN1KMT2AF2F10
SCHEMBL23812738 0.65 KMT2A (0.50) AKT1MEN1KMT2AF2F10
SCHEMBL21747138 0.64 IDO1 (0.32) —
SCHEMBL21126949 0.63 — —
SCHEMBL13985148 0.63 F2 (0.41) KMT2AF2F10F12F7
SCHEMBL18698110 0.59 — —
SCHEMBL22446783 0.59 IDO1 (0.31) —
SCHEMBL14337026 0.59 MEN1 (0.34) MEN1KMT2A
SCHEMBL1076339 0.58 AKT1 (0.52) AKT1MEN1KMT2AF2F10

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-2020116881-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 두산솔루스 주식회사 2020-06-11 — — WO disclosed
Send feedback