SCHEMBL4864634

SCHEMBL4864634

COC(OC(=O)Nc1ccn(CC(=O)N2CCN(S(=O)(=O)c3nc4ccccc4s3)C(=O)C2)c(=O)n1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 3/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
MAPK1 P28482 2/20 0.32
MAPK10 P53779 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
TSHR P16473 1/20 0.30
ACP1 P24666 1/20 0.30

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
SCHEMBL4835671 0.92 RAB9A (0.42) RAB9AMAPTNPC1LMNAKDM4E
SCHEMBL4839792 0.85 RAB9A (0.56) RAB9AMAPTNPC1LMNAKDM4E
SCHEMBL4842797 0.84 RAB9A (0.39) RAB9AMAPTLMNAKDM4EALDH1A1
SCHEMBL4835901 0.83 RAB9A (0.42) RAB9AMAPTNPC1LMNAKDM4E
SCHEMBL4835055 0.83 RAB9A (0.49) RAB9AMAPTNPC1KDM4EHSD17B10
SCHEMBL4839938 0.83 ABL1 (0.47) RAB9AMAPTNPC1KDM4EHSD17B10
SCHEMBL21525047 0.81 RAB9A (0.38) RAB9AMAPTLMNAALDH1A1MAPK10
SCHEMBL21525045 0.80 RAB9A (0.37) RAB9AACP1PTPN7PTPN12PTPN13
SCHEMBL4844727 0.78 MEN1 (0.39) RAB9AMAPTNPC1LMNAKDM4E
SCHEMBL4844713 0.78 RAB9A (0.45) RAB9AMAPTNPC1LMNAKDM4E

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
US-7411065-B2 Peptide nucleic acid monomers: diphenylmethyl, benzyl, alkylthioalkyl, or phenylthioalkyl esters of N-(1-[4-(2-benzothiazolyl-, 2-benzoxazolyl-, 2-benzofuranyl- or 2-benzothiophenyl-sulfonyl)-3-piperazinon-1-ylcarbonylmethyl]pyrimidon-4-yl)carbamic acids PANAGENE, INC. (KR) 2008-08-12 US disclosed