SCHEMBL19006729

SCHEMBL19006729

CCOC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2N=C1OP(=O)(N1CCOCC1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
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
KDM3B Q7LBC6 1/20 0.34
TET1 Q8NFU7 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 2/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL19006592 0.93
SCHEMBL20473277 0.93
SCHEMBL20473244 0.91 CYP1A2 (0.37) NPSR1L3MBTL1KCNH2TRPV1
SCHEMBL17166207 0.84 LMNA (0.34) NPSR1L3MBTL1
SCHEMBL20473341 0.84 LMNA (0.34) NPSR1L3MBTL1
SCHEMBL20473278 0.82 NPSR1 (0.38) NPSR1
SCHEMBL19006721 0.82 NPSR1 (0.38) NPSR1
SCHEMBL14329002 0.82 LMNA (0.33) NPSR1L3MBTL1
SCHEMBL20473298 0.82 LMNA (0.35) NPSR1L3MBTL1KCNH2
SCHEMBL14328973 0.81 LMNA (0.36) NPSR1L3MBTL1KCNH2

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-2017101808-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO disclosed