SCHEMBL28048698

SCHEMBL28048698

Cc1ccccc1-c1c(N)ccc2c1Sc1ccccc1S2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALOX5 P09917 1/20 0.36
GGT1 P19440 1/20 0.36
ADORA2A P29274 4/20 0.35
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 2/20 0.35
CSNK1G1 Q9HCP0 2/20 0.35
FGR P09769 1/20 0.35
PIM1 P11309 1/20 0.35
MAOA P21397 1/20 0.35
DYRK1A Q13627 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
DPP4 P27487 1/20 0.33
DRD2 P14416 1/20 0.32
GPR84 Q9NQS5 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
SCHEMBL28825592 0.90 PLA2G7 (0.38) MEN1KMT2AALOX5GGT1ADORA2A
SCHEMBL6932597 0.76 ADORA2A (0.50) MEN1KMT2AADORA2ACSNK1A1CSNK1D
SCHEMBL3175328 0.71 NOX1 (0.38) MEN1KMT2AALOX5MAOATDP1
SCHEMBL8308624 0.70 MEN1 (0.47) MEN1KMT2AALOX5MAOATDP1
SCHEMBL28203049 0.70 CYP3A4 (0.54) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL9678804 0.70 CYP3A4 (0.54) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL28048870 0.70 ALDH1A1 (0.39) MEN1KMT2AALOX5TDP1CYP3A4
SCHEMBL9804804 0.69 ALOX5 (0.38) MEN1KMT2AALOX5MAOATDP1
SCHEMBL26665278 0.68 ADORA2A (0.42) MEN1KMT2AADORA2ACSNK1A1CSNK1D
SCHEMBL2833308 0.68 ALDH1A1 (0.45) MEN1KMT2AADORA2ACSNK1A1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105189475-A Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LTD 2015-12-23 CN claimed
CN-105189475-B Heterocyclic compounds and their use in electro-optical or opto-electronic devices 动力欧勒德斯有限公司 2018-12-21 CN disclosed
CN-105189475-A Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LTD 2015-12-23 CN disclosed