SCHEMBL7449950

SCHEMBL7449950

C[C@H](OCc1ccccc1)[C@@H](CCOc1cccc2ccccc12)NC(=O)c1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
HTR1B P28222 3/20 0.38
XIAP P98170 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
ACKR3 P25106 1/20 0.37
CASP1 P29466 1/20 0.37
MCL1 Q07820 3/20 0.37
NR2E1 Q9Y466 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
HTR1D P28221 1/20 0.36
ELANE P08246 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 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
SCHEMBL7448837 0.87 ALDH1A1 (0.44) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL7457342 0.87 KMT2A (0.40) ALDH1A1KMT2AKDM4EHPGDCASP1
SCHEMBL7449545 0.87 KMT2A (0.40) ALDH1A1KMT2AKDM4EHPGDCASP1
SCHEMBL7453006 0.85 NPC1 (0.40) ALDH1A1MAPTKMT2AKDM4EXIAP
SCHEMBL7449714 0.83 MMP9 (0.38) MAPTPOLB
SCHEMBL7448681 0.83 KMT2A (0.40) KMT2AHPGDMEN1USP2LMNA
SCHEMBL7548111 0.82 MMP9 (0.35) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL7453353 0.81 CNR1 (0.38) MAPTKMT2AHPGDMEN1LMNA
SCHEMBL7263594 0.81 RAB9A (0.43) ALDH1A1MAPTKDM4EMCL1POLB
SCHEMBL7827665 0.80 APLNR (0.37) KMT2AMEN1POLB

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-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed