SCHEMBL30501009

SCHEMBL30501009

c1ccc2c(c1)Cc1ccccc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
MAOA P21397 2/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
OPRK1 P41145 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
TDP2 O95551 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 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
SCHEMBL30501027 0.85 PDK2 (0.45) HTR2AMAOAKDM4ELMNAMAPT
SCHEMBL31613856 0.84 TDP1 (0.46) HTR2AMAOAKDM4ELMNAMAPT
SCHEMBL30501025 0.84 PDK2 (0.46) HTR2AKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL19007414 0.84 SMN1; SMN2 (0.40) HTR2AMAOAKDM4ELMNAMAPT
SCHEMBL30501031 0.84 PDK2 (0.44) HTR2AMAOAKDM4ELMNAMAPT
SCHEMBL24524535 0.83 MAOA (0.43) HTR2AMAOAKDM4ELMNAMAPT
SCHEMBL29355276 0.82 KMT2A (0.56) KDM4ELMNAMAPTSMN1; SMN2MEN1
SCHEMBL44942 0.82 KMT2A (0.56) KDM4ELMNAMAPTSMN1; SMN2MEN1
SCHEMBL30501021 0.81 HTR2A (0.37) HTR2AMAOAKDM4ELMNAMAPT
SCHEMBL18374553 0.79 KMT2A (0.54) KDM4ELMNAMAPTSMN1; SMN2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462579-B Preparation method of spirofluorene anthrone compound 大连理工大学 2024-04-05 CN disclosed
CN-110785401-B Organic compound and organic electroluminescent element comprising same 斗山索如始株式会社 2024-03-29 CN disclosed
CN-110709387-B Novel cyclic compound and organic light-emitting device using same 株式会社LG化学 2023-08-08 CN disclosed
CN-116462579-A Preparation method of spirofluorene anthrone compound 大连理工大学 2023-07-21 CN disclosed