SCHEMBL28072709

SCHEMBL28072709

BrCCCCCCn1c2ccc(Br)cc2c2cc(Br)ccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
MAPT P10636 3/20 0.47
P2RX3 P56373 1/20 0.42
DNM1 Q05193 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
BAX Q07812 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
TSPO P30536 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
SCHEMBL31609254 1.00 SIGMAR1 (0.51) SIGMAR1MAPTP2RX3DNM1SMN1; SMN2
SCHEMBL15480483 0.98 SIGMAR1 (0.52) SIGMAR1MAPTP2RX3DNM1SMN1; SMN2
SCHEMBL30972545 0.95 SIGMAR1 (0.50) SIGMAR1MAPTP2RX3DNM1SMN1; SMN2
SCHEMBL410726 0.93 SIGMAR1 (0.54) SIGMAR1MAPTP2RX3DNM1SMN1; SMN2
SCHEMBL30972551 0.88 SIGMAR1 (0.43) SIGMAR1MAPTP2RX3DNM1SMN1; SMN2
SCHEMBL30923410 0.86 SIGMAR1 (0.38) SIGMAR1MAOAMAOBGRIN1GRIN2A
SCHEMBL20045111 0.86 SIGMAR1 (0.38) SIGMAR1MAOAMAOBGRIN1GRIN2A
SCHEMBL19896374 0.86 SIGMAR1 (0.38) SIGMAR1MAOAMAOBGRIN1GRIN2A
SCHEMBL20374639 0.85 SIGMAR1 (0.46) SIGMAR1MAPTP2RX3DNM1SMN1; SMN2
SCHEMBL9985099 0.85 MAPT (0.53) SIGMAR1MAPTP2RX3DNM1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103951706-B A kind of small molecule host material based on D-R-A and preparation method thereof, application 华南理工大学 2016-06-22 CN claimed
CN-109535397-B Stable organic light-emitting free radical polymer and OLED (organic light-emitting diode) device based on same 吉林大学 2021-04-27 CN disclosed
CN-108610471-B Photocrosslinkable hole transport polymer and preparation method and application thereof 华南理工大学 2020-04-28 CN disclosed
CN-108559484-B A kind of alkyl bromide is for carbazole derivates room temperature phosphorimetry material and its preparation and application 太原理工大学 2019-08-02 CN disclosed
CN-103951706-B A kind of small molecule host material based on D-R-A and preparation method thereof, application 华南理工大学 2016-06-22 CN disclosed