SCHEMBL22797311

SCHEMBL22797311

Brc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccccc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ PDK2 Q15119 6/20 0.43
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ PTBP1 P26599 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GALK1 P51570 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ SMAD3 P84022 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL26369373 1.00 MAPK1 (0.45) MAPK1ALDH1A1PDK2LMNAMAPT
SCHEMBL19001890 0.94 PDK2 (0.48) MAPK1ALDH1A1PDK2LMNAMAPT
SCHEMBL17923649 0.92 PDK2 (0.40) MAPK1ALDH1A1PDK2LMNAMAPT
SCHEMBL15892491 0.91 ALDH1A1 (0.45) MAPK1ALDH1A1PDK2LMNAMAPT
SCHEMBL19237140 0.89 PDK2 (0.50) PDK2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL28427597 0.89 PDK2 (0.50) PDK2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL10057686 0.88 L3MBTL1 (0.44) MAPK1ALDH1A1PDK2LMNAMAPT
SCHEMBL26808465 0.88 TDP2 (0.43) ALDH1A1PDK2LMNAMAPTSMN1; SMN2
SCHEMBL12469930 0.88 PDK2 (0.49) MAPK1PDK2LMNAMAPTSMN1; SMN2
SCHEMBL31396643 0.88 PDK2 (0.49) MAPK1PDK2LMNAMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020248943-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2020-12-17 — — WO disclosed
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