SCHEMBL5233254

SCHEMBL5233254

CN1CCN(Cc2c(OC(=O)O)sc3c(C4CCCCC4)c(-c4ccc(Cl)cc4)n(C)c23)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
BCL2L1 Q07817 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 1/20 0.34
F2 P00734 3/20 0.33
F10 P00742 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
CHKA P35790 1/20 0.33
LSS P48449 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL5231069 0.95 LSS (0.36) TACR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5227454 0.91 ALDH1A1 (0.34) TACR1LMNAADORA1KDM4EMEN1
SCHEMBL2998567 0.88 TACR1 (0.37) TACR1LMNATP53BCL2L1ADORA1
SCHEMBL5229977 0.85 CNR1 (0.36) TACR1TP53ALDH1A1CNR1LSS
SCHEMBL5230751 0.85 EGFR (0.38) TACR1LMNATP53KMT2A
SCHEMBL3001005 0.82 MEN1 (0.36) TACR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5234741 0.79 CNR1 (0.34) TP53KDM4EALDH1A1CNR1CYP3A4
SCHEMBL2997420 0.79 MEN1 (0.36) TACR1LMNAADORA1KDM4EMEN1
SCHEMBL5237010 0.79 EGFR (0.39) TACR1LMNAKDM4EALDH1A1KMT2A
SCHEMBL2996688 0.78 MMP2 (0.35) TACR1BCL2L1CNR1CYP3A4CYP2C19

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
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed