SCHEMBL18667607

SCHEMBL18667607

NCCCOc1ccc(-c2ncc(CNCl)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HDAC1 Q13547 7/20 0.36
▸ HDAC3 O15379 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ XIAP P98170 1/20 0.35
▸ SUCNR1 Q9BXA5 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HDAC2 Q92769 2/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL18667707 0.96 RAB9A (0.39) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL18666990 0.87 RAB9A (0.37) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL18667608 0.85 RAB9A (0.44) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL21229098 0.83 HDAC1 (0.43) HDAC1HDAC3HDAC6XIAPSUCNR1
SCHEMBL26759213 0.82 RAB9A (0.49) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL18667570 0.82 HRH3 (0.44) —
SCHEMBL18667605 0.82 ATP4A (0.49) KDM4E
SCHEMBL18667549 0.81 ATP4A (0.41) —
SCHEMBL18667084 0.81 KMT2A (0.47) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL18667123 0.80 DRD4 (0.34) RAB9AMAPTLMNAKDM4EHDAC1

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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