SCHEMBL28564987

SCHEMBL28564987

Brc1cccc(-c2cccc3cc4ccccc4cc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
MAOA P21397 1/20 0.45
BIRC5 O15392 1/20 0.44
CYP2A6 P11509 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
TSHR P16473 3/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
GAA P10253 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
SCHEMBL1815030 0.90 ALDH1A1 (0.42) MAOBMAOABIRC5CYP2A6SMN1; SMN2
SCHEMBL30490392 0.85 MAOB (0.47) MAOBMAOABIRC5SMN1; SMN2RAB9A
SCHEMBL29521527 0.85 MAOB (0.47) MAOBMAOABIRC5SMN1; SMN2RAB9A
SCHEMBL1040847 0.85 MAOB (0.47) MAOBMAOABIRC5SMN1; SMN2RAB9A
SCHEMBL27675918 0.84 TNF (0.47) MAOASMN1; SMN2TSHRTP53MAPT
SCHEMBL27831504 0.83 CYP2A6 (0.43) MAOBMAOACYP2A6TSHRTP53
SCHEMBL60347 0.82 TNF (0.50) CYP2A6TSHRTP53MAPTALDH1A1
SCHEMBL30332794 0.82 TNF (0.50) CYP2A6TSHRTP53MAPTALDH1A1
SCHEMBL14981729 0.81 BIRC5 (0.47) MAOBMAOABIRC5SMN1; SMN2RAB9A
SCHEMBL27717449 0.81 CYP2A6 (0.42) MAOBMAOACYP2A6TSHRTP53

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-112736208-B Organic electroluminescent device and display device 昆山国显光电有限公司 2022-09-20 CN disclosed
CN-112701231-B Organic electroluminescent device and display device 昆山国显光电有限公司 2022-09-13 CN disclosed
CN-112736208-A Organic electroluminescent device and display device 昆山国显光电有限公司 2021-04-30 CN disclosed
CN-112701231-A Organic electroluminescent device and display device 昆山国显光电有限公司 2021-04-23 CN disclosed