SCHEMBL27744147

SCHEMBL27744147

O=C(O)c1nsc2cc(N3CC4CCCNC4C3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.39
HTR3A P46098 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IP6K1 Q92551 2/20 0.34
IP6K3 Q96PC2 2/20 0.34
PARP1 P09874 1/20 0.34
MBTD1 Q05BQ5 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
DPP4 P27487 1/20 0.33
IP6K2 Q9UHH9 1/20 0.32
GRM4 Q14833 1/20 0.32
KHK P50053 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
SCHEMBL492177 0.86 TP53 (0.36) HRH4HTR3AKDM4EMEN1ALDH1A1
SCHEMBL492126 0.83 CHRNA7 (0.46) HTR3A
SCHEMBL492099 0.83 CHRNA7 (0.46) HTR3A
SCHEMBL492211 0.76 JAK3 (0.33) ALDH1A1IP6K1IP6K3
SCHEMBL491967 0.76 SOS1 (0.34) KDM4EMEN1ALDH1A1KMT2AGRM4
SCHEMBL492693 0.76 IP6K1 (0.46) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL27723455 0.75
SCHEMBL492722 0.74 ABL1 (0.42)
SCHEMBL492891 0.74 ABL1 (0.42)
SCHEMBL492151 0.72 HDAC4 (0.45) HRH4GRM4

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
CN-101312968-A Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARM CORP (US) 2008-11-26 CN disclosed