SCHEMBL7694004

SCHEMBL7694004

CN1CCN(C(=O)c2ccc3c(Oc4ccc(C[C@@H](CO)N(Cc5ccccc5)C[C@H](O)COc5ccccc5)cc4)ccnc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MET P08581 2/20 0.36
SMYD3 Q9H7B4 1/20 0.36
USP2 O75604 1/20 0.35
BTK Q06187 2/20 0.35
RHEB Q15382 1/20 0.35
EGFR P00533 1/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR5 Q9H1C0 2/20 0.35
MAPT P10636 2/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MAP4K2 Q12851 1/20 0.35
HASPIN Q8TF76 1/20 0.35
CDK19 Q9BWU1 1/20 0.35

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
SCHEMBL7693355 0.94 MEN1 (0.37) NPC1ALDH1A1MEN1KMT2AMET
SCHEMBL7691406 0.93 SMN1; SMN2 (0.41) NPC1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7686564 0.88 LPAR1 (0.43) ALDH1A1POLBMETLPAR1LPAR5
SCHEMBL7692913 0.87 LPAR1 (0.39) ALDH1A1MEN1KMT2APOLBMET
SCHEMBL6488702 0.87 LPAR1 (0.39) ALDH1A1MEN1KMT2APOLBMET
SCHEMBL7692473 0.86 MET (0.38) ALDH1A1MEN1KMT2APOLBMET
SCHEMBL6478360 0.86 MAPT (0.39) ALDH1A1MEN1KMT2APOLBMET
SCHEMBL7693432 0.86 MET (0.39) ALDH1A1MEN1KMT2AMETLPAR1
SCHEMBL7686803 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APOLBMET
SCHEMBL7687505 0.85 MET (0.38) ALDH1A1MEN1KMT2APOLBMET

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed