SCHEMBL19368286

SCHEMBL19368286

Cc1cc(C)n2ccc(C(=O)NC3CCCCCC3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 3/20 0.64
POLB P06746 3/20 0.64
HPGD P15428 3/20 0.54
RAB9A P51151 4/20 0.52
ATM Q13315 1/20 0.51
HSD17B10 Q99714 1/20 0.50
CNR2 P34972 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 3/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL20353021 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL18356836 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL23511774 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL20353019 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL21757546 0.96 ALDH1A1 (0.59) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL20353085 0.93 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL20337462 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL17743069 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL19579144 0.88 GAA (0.52) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL22754745 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBHPGDRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215509-B1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC (US) 2020-02-26 EP disclosed
WO-2017192841-A1 METHODS OF TREATMENT AND COMBINATION THERAPIES USING GCASE ACTIVATOR HETEROBICYCLIC AND RELATED COMPOUNDS LYSOSOMAL THERAPEUTICS INC. (US) 2017-11-09 WO disclosed
WO-2017161137-A1 METHODS AND COMPOSITIONS FOR TREATING A NEURODEGENERATIVE DISORDER IN A SPHINGOTYPED SUBJECT LYSOSOMAL THERAPEUTICS INC. (US) 2017-09-21 WO disclosed