SCHEMBL22100200

SCHEMBL22100200

Cc1cccc2c1-c1ccccc1C21c2ccccc2Sc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.47
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MYC P01106 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
DAO P14920 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
SCHEMBL19521771 0.88 PDK2 (0.58) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL6297045 0.86 PDK2 (0.56) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL24036971 0.81 ESR1 (0.39) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL23697040 0.80 PDK2 (0.47) PDK2MEN1KMT2ACA1CA2
SCHEMBL23372314 0.80 PDK2 (0.47) PDK2MEN1KMT2AMAPTGPR84
SCHEMBL29402623 0.80 MAPT (0.43) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL29450643 0.80 MAPT (0.43) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL11990877 0.80 MAPT (0.43) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL22018143 0.80 PDK2 (0.32) PDK2
SCHEMBL18160245 0.79 PDK2 (0.50) PDK2MEN1KMT2AMYCCA1

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-2020122384-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-06-18 WO disclosed