SCHEMBL29318990

SCHEMBL29318990

C=CC(=C)c1ccn2c(c1)nc1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.38
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 4/20 0.36
GLA P06280 3/20 0.36
GAA P10253 3/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
RAD51 Q06609 3/20 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
SCHEMBL18618325 0.70 RAB9A (0.51) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL24553487 0.70 PTPN2 (0.51) ALKPTPN1PTPN2ALDH1A1KDM4E
SCHEMBL21623397 0.70 ALK (0.48) ALKPTPN1PTPN2ALDH1A1KDM4E
SCHEMBL832843 0.70 RAD51 (0.51) ALKPTPN1PTPN2ALDH1A1KDM4E
SCHEMBL22906838 0.69 KDR (0.50) ALKPTPN1PTPN2ALDH1A1KDM4E
SCHEMBL839837 0.67 ALDH1A1 (0.62) PTPN1PTPN2ALDH1A1KDM4EHPGD
SCHEMBL25457542 0.67 ADORA2A (0.44) ALKPTPN1PTPN2ALDH1A1KDM4E
SCHEMBL18548730 0.67 ALDH1A1 (0.43) ALKPTPN1PTPN2ALDH1A1KDM4E
SCHEMBL31031212 0.65 ALDH1A1 (0.39) ALKPTPN1PTPN2ALDH1A1KDM4E
SCHEMBL2162897 0.65 ALDH1A1 (0.52) ALKALDH1A1KDM4EHPGDGAA

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-2024144190-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 솔루스첨단소재 주식회사 2024-07-04 WO disclosed