SCHEMBL21884846

SCHEMBL21884846

CCOc1ccc2c(Oc3ccc4[nH]c(C)cc4c3)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AXL P30530 1/20 0.44
MET P08581 7/20 0.43
KDR P35968 6/20 0.43
AURKA O14965 5/20 0.43
TEK Q02763 5/20 0.43
AURKB Q96GD4 2/20 0.43
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
LCK P06239 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
RET P07949 1/20 0.38

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
SCHEMBL21884829 0.85 PDGFRB (0.57) METKDRAURKATEKAURKB
SCHEMBL21884831 0.81 KDR (0.56) KDM4EMEN1ALDH1A1TSHRKMT2A
SCHEMBL8292832 0.80 AXL (0.66) KDM4EMEN1ALDH1A1TSHRKMT2A
SCHEMBL29902477 0.79 AXL (0.59) KDM4EALDH1A1AXLMETKDR
SCHEMBL28567574 0.78 PDGFRA (0.53) AXLMETKDRAURKATEK
SCHEMBL2062492 0.73 KDR (0.71) METKDRAURKATEKAURKB
SCHEMBL29902462 0.73 KDR (0.71) METKDRAURKATEKAURKB
SCHEMBL2062996 0.72 KDR (0.56) METKDRAURKATEKAURKB
Hydrochloric Acid SCHEMBL28914336 0.72 KDR (0.70) METKDRAURKATEKAURKB
SCHEMBL29902480 0.72 KDR (0.56) METKDRAURKATEKAURKB

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