SCHEMBL21884844

SCHEMBL21884844

COc1cc2nccc(C)c2cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
MAPK1 P28482 1/20 0.52
IRAK1 P51617 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
EGFR P00533 5/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
ELANE P08246 1/20 0.51
PDPK1 O15530 1/20 0.50
LCK P06239 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
ATM Q13315 1/20 0.48
KIT P10721 1/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
TLR8 Q9NR97 1/20 0.47
TLR9 Q9NR96 1/20 0.47

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
SCHEMBL13271522 1.00 KDM1A (0.53) KDM1AMAPK1IRAK1IRAK4EGFR
SCHEMBL10296328 0.90 KDM1A (0.56) KDM1AIRAK1IRAK4EGFRKDM4E
SCHEMBL6592222 0.90 KDM1A (0.56) KDM1AIRAK1IRAK4EGFRKDM4E
SCHEMBL21884823 0.89 EGFR (0.50) KDM1AMAPK1IRAK1IRAK4EGFR
SCHEMBL14540552 0.85 KDM1A (0.52) KDM1AMAPK1IRAK1IRAK4EGFR
SCHEMBL18676689 0.85 KDM1A (0.52) KDM1AMAPK1IRAK1IRAK4EGFR
SCHEMBL30465578 0.85 KDM1A (0.52) KDM1AMAPK1IRAK1IRAK4EGFR
SCHEMBL371731 0.85 KDM1A (0.52) KDM1AMAPK1IRAK1IRAK4EGFR
SCHEMBL2062562 0.85 KDM1A (0.52) KDM1AMAPK1IRAK1IRAK4EGFR
SCHEMBL30216650 0.85 KDM1A (0.52) KDM1AMAPK1IRAK1IRAK4EGFR

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-2020057403-A1 INDOLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 北京越之康泰生物医药科技有限公司 2020-03-26 WO disclosed