SCHEMBL25829959

SCHEMBL25829959

O=c1c2cc3c(cc2c2cc4c5ccccc5n(-c5ccccc5)c4cc2n1-c1nc(-c2ccccc2)nc(-c2ccc4c(c2)oc2ccccc24)n1)c1ccccc1n3-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTGER4 P35408 1/20 0.33
HCRTR1 O43613 1/20 0.33
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL25830148 0.94 KMT2A (0.38) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL19769736 0.91 KDM4E (0.40) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL22049395 0.90 KDM4E (0.39) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL19769833 0.90 KDM4E (0.41) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL23602221 0.89 KDM4E (0.40) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL25965850 0.89 KDM4E (0.40) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL25964728 0.89 KDM4E (0.42) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL25829519 0.89 KMT2A (0.44) KMT2AALDH1A1MEN1LMNAPOLB
SCHEMBL22049394 0.88 KDM4E (0.36) KMT2AALDH1A1MEN1TSHRKDM4E
SCHEMBL25965429 0.88 KDM4E (0.41) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA

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-2023110742-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-22 WO disclosed