SCHEMBL18667707

SCHEMBL18667707

NCCCCOc1ccc(-c2ncc(CNCl)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HDAC1 Q13547 7/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ SUCNR1 Q9BXA5 3/20 0.36
▸ HDAC3 O15379 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ XIAP P98170 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
SCHEMBL18667607 0.96 RAB9A (0.40) RAB9ALMNAMAPTKDM4ENPC1
SCHEMBL18666990 0.86 RAB9A (0.37) RAB9ALMNAMAPTKDM4ENPC1
SCHEMBL18667570 0.81 HRH3 (0.44) —
SCHEMBL18667608 0.81 RAB9A (0.44) RAB9ALMNAMAPTKDM4ENPC1
SCHEMBL18667605 0.81 ATP4A (0.49) KDM4E
SCHEMBL18667549 0.80 ATP4A (0.41) —
SCHEMBL18667084 0.80 KMT2A (0.47) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL21229098 0.79 HDAC1 (0.43) HDAC1HDAC2SUCNR1HDAC3HDAC6
SCHEMBL18667364 0.79 L3MBTL1 (0.49) LMNAL3MBTL1HDAC1HDAC2HDAC3
SCHEMBL18667537 0.79 HRH3 (0.56) —

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-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 — — WO disclosed
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