SCHEMBL13476293

SCHEMBL13476293

COC(=O)c1cc2c(s1)c(C1CCCCC1)c1n2CCN(CCN2CCCCC2)c2ccccc2-1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
OPRK1 P41145 2/20 0.34
CYP2D6 P10635 2/20 0.33
HPGD P15428 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 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
SCHEMBL13476327 0.92 SIGMAR1 (0.34) MEN1KMT2ACYP2D6HPGDCYP3A4
SCHEMBL13476296 0.92 SIGMAR1 (0.34) MEN1KMT2ACYP2D6HPGDCYP3A4
SCHEMBL2157532 0.90 PRKCA (0.36) GAAHPGDPKMKDM4EALDH1A1
SCHEMBL13476294 0.90 ACKR3 (0.41) ALDH1A1
SCHEMBL13476318 0.88 L3MBTL1 (0.38) KMT2AGAAKDM4EALDH1A1L3MBTL1
SCHEMBL13476330 0.86 CNR2 (0.36) KMT2AHPGDKDM4EALDH1A1
SCHEMBL13476329 0.85 TP53 (0.40) MEN1KMT2ACYP2D6KDM4EALDH1A1
SCHEMBL13476295 0.85 ACKR3 (0.39) MEN1KMT2A
SCHEMBL13476328 0.85 KCNH2 (0.34) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13476299 0.84 TSHR (0.36) KMT2AGAAALDH1A1L3MBTL1

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-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed