SCHEMBL20142178

SCHEMBL20142178

O=C(O)N1CCN(c2c(Br)ccc3cc[nH]c23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.36
▸ GHSR Q92847 2/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ GOT1 P17174 2/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPRB P23467 1/20 0.33
▸ PTPRE P23469 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL20140820 0.81 LMNA (0.43) ALDH1A1LMNAMAPT
SCHEMBL20141173 0.80 MEN1 (0.34) KEAP1GHSRBCHELMNAGOT1
SCHEMBL26683753 0.75 DRD2 (0.47) ALDH1A1LMNADRD2DRD4DRD3
SCHEMBL20141537 0.74 KEAP1 (0.47) KEAP1BCHEALDH1A1MAPTGOT1
SCHEMBL1225685 0.70 ALDH1A1 (0.51) GHSRALDH1A1LMNAMAPTGAA
SCHEMBL26119201 0.69 MAPK14 (0.40) ALDH1A1LMNADRD2DRD4DRD3
SCHEMBL3723654 0.69 KIT (0.46) ALDH1A1AURKAJAK3
SCHEMBL6097862 0.69 KEAP1 (0.41) KEAP1GHSRBCHEALDH1A1PTPRC
SCHEMBL3721191 0.66 MAPK14 (0.46) GHSRALDH1A1MAPTGAAKDM4E
SCHEMBL23777655 0.64 NOTUM (0.54) ALDH1A1LMNAMAPTKDM4EHPGD

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
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