SCHEMBL21300580

SCHEMBL21300580

Cc1ccc2c(c1)sc1ccc[c]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
RAB9A P51151 7/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 5/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
APP P05067 2/20 0.31
SNCA P37840 2/20 0.31
TNF P01375 1/20 0.31
NOD1 Q9Y239 1/20 0.31
BCHE P06276 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR3 P46089 1/20 0.30

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
SCHEMBL5007 0.77 GPR3 (0.54) MCL1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21295765 0.77 LIMK1 (0.40) MCL1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL24022947 0.76 BCL2L1 (0.37) BCL2L1MCL1RAB9AMAPTNPC1
SCHEMBL812518 0.74 BCL2L1 (0.50) BCL2L1MCL1RAB9AMAPTSMN1; SMN2
SCHEMBL20553754 0.74 GPR3 (0.35) BCL2L1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL808361 0.74 GPR3 (0.61) BCL2L1MCL1RAB9AMAPTSMN1; SMN2
SCHEMBL31677946 0.74 GPR3 (0.61) BCL2L1MCL1RAB9AMAPTSMN1; SMN2
SCHEMBL21295885 0.73 LIMK1 (0.43) RAB9AMAPTNPC1LMNA
SCHEMBL12797457 0.71 BCL2L1 (0.47) BCL2L1MCL1RAB9AMAPTSMN1; SMN2
SCHEMBL12797460 0.71 BCL2L1 (0.47) BCL2L1MCL1RAB9AMAPTSMN1; SMN2

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-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed