SCHEMBL7457342

SCHEMBL7457342

C[C@H](OCc1ccccc1)[C@@H](CCc1cccc2ccccc12)NC(=O)c1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
REN P00797 1/20 0.38
PSMB5 P28074 1/20 0.38
ADA P00813 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CASP1 P29466 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TPSAB1 Q15661 1/20 0.35
FFAR1 O14842 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
SCHEMBL7449545 1.00 KMT2A (0.40) KMT2ARENPSMB5ADAKDM4E
SCHEMBL7448681 0.90 KMT2A (0.40) KMT2AHPGD
SCHEMBL7452291 0.88 MEN1 (0.37) KMT2AALDH1A1HPGD
SCHEMBL7448880 0.87 PTGER1 (0.37) PSMB5HPGDCTSLCTSBCTSS
SCHEMBL7449950 0.87 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1HPGDCASP1
SCHEMBL7450779 0.87 CTSG (0.37) ADAHPGDCTSLCTSBCTSS
SCHEMBL7827665 0.86 APLNR (0.37) KMT2A
SCHEMBL7837015 0.86 ADA (0.47) KMT2AADAMETAP2METAP1
SCHEMBL7449901 0.86 ATM (0.36) KMT2AALDH1A1HPGD
SCHEMBL7453353 0.84 CNR1 (0.38) KMT2APSMB5HPGD

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