SCHEMBL20054899

SCHEMBL20054899

CNc1ccc(CC(c2nccs2)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.38
ADRB2 P07550 2/20 0.37
LMNA P02545 1/20 0.37
XBP1 P17861 1/20 0.37
ACACB O00763 2/20 0.36
MAPKAPK2 P49137 1/20 0.35
ALOX5 P09917 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CCR3 P51677 1/20 0.32
ADORA2A P29274 2/20 0.32
APP P05067 2/20 0.32
NAMPT P43490 1/20 0.31
CACNA2D1 P54289 2/20 0.31

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
SCHEMBL14962758 0.86 ADRB2 (0.54) PTPRBADRB2LMNAXBP1ACACB
SCHEMBL16015558 0.85 ADRB2 (0.39) PTPRBADRB2LMNAXBP1ACACB
SCHEMBL14962753 0.85 PTPRB (0.36) PTPRBADRB2LMNAXBP1ACACB
SCHEMBL17480096 0.84 LMNA (0.36) PTPRBADRB2LMNAXBP1ACACB
SCHEMBL19647062 0.82 LOXL2 (0.49) PTPRBADRB2LMNAXBP1ACACB
SCHEMBL14962671 0.82 PDPK1 (0.41) PTPRBLMNAALOX5SLC6A2SLC6A4
SCHEMBL20196263 0.82 PDPK1 (0.41) PTPRBLMNAALOX5SLC6A2SLC6A4
SCHEMBL14962659 0.82 PDPK1 (0.41) PTPRBLMNAALOX5SLC6A2SLC6A4
SCHEMBL21010058 0.71 FBP1 (0.36) LMNAMAPKAPK2ALOX5SLC6A2SLC6A4
SCHEMBL12041576 0.71 FBP1 (0.36) LMNAMAPKAPK2ALOX5SLC6A2SLC6A4

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
EP-2780039-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2018-04-18 EP disclosed