SCHEMBL9852982

SCHEMBL9852982

COc1ncnc(OC)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
MAPT P10636 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CCR4 P51679 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
PAX8 Q06710 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL28496069 0.85 PDPK1 (0.38) PDPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL18809342 0.79 PDPK1 (0.34) PDPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL19489074 0.79 PDPK1 (0.34) PDPK1ALDH1A1LMNAHPGDTSHR
SCHEMBL13472337 0.77 KMO (0.49) PDPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL13472336 0.76 NPSR1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL9044468 0.75 ALDH1A1 (0.39) PDPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3921763 0.75 ALDH1A1 (0.39) PDPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6796490 0.74 PDPK1 (0.45) PDPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3817132 0.74 PDPK1 (0.45) PDPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL31718356 0.74 ALDH1A1 (0.38) PDPK1MAPTALDH1A1SMN1; SMN2LMNA

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-0419831-A2 Substituted sulfonylaminoazoles BAYER AG (DE) 1991-04-03 EP disclosed