SCHEMBL7448644

SCHEMBL7448644

CSc1ccccc1CC[C@@H](NC(=O)c1c[nH]cn1)[C@H](C)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
ALDH1A1 P00352 6/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 2/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 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
SCHEMBL7449901 0.86 ATM (0.36) ATMALDH1A1PKMRAB9ANPC1
SCHEMBL7452233 0.86 RAB9A (0.33) ALDH1A1PKMRAB9ANPC1SMN1; SMN2
SCHEMBL7452035 0.85 SLC6A2 (0.40) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL7451211 0.84 SMN1; SMN2 (0.45) ATMALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7837953 0.84 SMN1; SMN2 (0.45) ATMALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7837015 0.83 ADA (0.47) LMNAMAPTKMT2A
SCHEMBL7452394 0.82 CNR1 (0.31) SMN1; SMN2KMT2AHPGDCNR1
SCHEMBL7454436 0.82 MEN1 (0.34) SMN1; SMN2KMT2AHPGDMAPK1CCR1
SCHEMBL7453035 0.82 NPC1 (0.32) ALDH1A1RAB9ANPC1KMT2ACNR1
SCHEMBL7449449 0.81 ADA (0.47) ALDH1A1PKMLMNASLC6A2SLC6A4

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