SCHEMBL19783002

SCHEMBL19783002

C=C/C=C\N=C(/C)CNc1nc(-c2ccccn2)c(CCC(=O)OCC)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MAPT P10636 7/20 0.35
GAA P10253 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GSTO1 P78417 1/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADAMTS4 O75173 1/20 0.34
MMP14 P50281 1/20 0.34
ADAMTS13 Q76LX8 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
KDM6B O15054 1/20 0.34
KDM6A O15550 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34

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
SCHEMBL19783019 0.80 ALDH1A1 (0.42) LMNAALDH1A1KDM4EAPOBEC3GMAPT
SCHEMBL19782983 0.78 MAPT (0.45) LMNAALDH1A1KDM4EAPOBEC3GMAPT
SCHEMBL19782387 0.76 MAPT (0.36) LMNAALDH1A1KDM4EAPOBEC3GMAPT
SCHEMBL19783107 0.70 ALDH1A1 (0.47) LMNAALDH1A1KDM4EAPOBEC3GMAPT
SCHEMBL19783021 0.68 ALDH1A1 (0.49) LMNAALDH1A1KDM4EAPOBEC3GMAPT
SCHEMBL19783018 0.66 ADAMTS5 (0.50) ALDH1A1KDM4EAPOBEC3GMAPTGAA
SCHEMBL15993205 0.65 ALDH1A1 (0.41) LMNAALDH1A1KDM4EAPOBEC3GMAPT
SCHEMBL21221232 0.65 NPC1 (0.47) LMNAALDH1A1KDM4EAPOBEC3GMAPT
SCHEMBL19782984 0.63 ADAMTS5 (0.52) ALDH1A1KDM4EAPOBEC3GMAPTGAA
SCHEMBL19783020 0.62 ADAMTS5 (0.36) LMNAALDH1A1KDM4EAPOBEC3GMAPT

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
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 WO disclosed