SCHEMBL28242995

SCHEMBL28242995

Fc1cccc(-c2nc3cccc(-c4ccc(Br)cc4)c3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ TNKS O95271 1/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ SCD O00767 1/20 0.40
▸ GUSB P08236 1/20 0.40
▸ MAPK13 O15264 3/20 0.39
▸ MAPK12 P53778 3/20 0.39
▸ MAPK11 Q15759 3/20 0.39
▸ MAPK14 Q16539 3/20 0.39
▸ GCGR P47871 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ MET P08581 1/20 0.39
▸ AMY1A P0DUB6 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL28468751 0.86 PIN1 (0.43) MGAMGAASIMGAM2PIN1
SCHEMBL28136411 0.85 TNKS (0.56) GAATNKSCYP1A1CYP1B1TNKS2
SCHEMBL8202622 0.78 MEN1 (0.47) GAATNKSTNKS2GUSBKDM4E
SCHEMBL7146757 0.77 NPC1 (0.55) GAATNKSCYP1A1CYP1B1TNKS2
SCHEMBL30872095 0.75 NPC1 (0.49) GAATNKSTNKS2GUSBKDR
SCHEMBL230980 0.75 NPC1 (0.49) GAATNKSTNKS2GUSBKDR
SCHEMBL26753825 0.75 MGAM (0.52) MGAMGAASIMGAM2PIN1
SCHEMBL26597187 0.75 MMP13 (0.62) MGAMGAASIMGAM2SCD
SCHEMBL27761849 0.75 NPC1 (0.56) GAATNKSTNKS2KDRKDM4E
SCHEMBL28241148 0.74 ALDH1A1 (0.58) GAATNKSTNKS2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586352-B Organic material and application thereof in organic electroluminescent device 北京燕化集联光电技术有限公司 2020-09-08 — — CN disclosed
CN-108586352-A A kind of organic material and its application in organic electroluminescence device 北京燕化集联光电技术有限公司 2018-09-28 — — CN disclosed
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