SCHEMBL18666990

SCHEMBL18666990

OCCCOc1ccc(-c2ncc(CNCl)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HDAC1 Q13547 7/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ XIAP P98170 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PRKAG3 Q9UGI9 1/20 0.35
▸ PRKAG2 Q9UGJ0 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL18667549 0.88 ATP4A (0.41) —
SCHEMBL18667607 0.87 RAB9A (0.40) RAB9ALMNAMAPTHDAC1HDAC2
SCHEMBL18667707 0.86 RAB9A (0.39) RAB9ALMNAMAPTHDAC1HDAC2
SCHEMBL21229029 0.84 HDAC1 (0.42) HDAC1HDAC2HDAC6XIAPPRKAB2
SCHEMBL26759172 0.82 RAB9A (0.46) RAB9ALMNAMAPTSMN1; SMN2MAPK1
SCHEMBL18667364 0.82 L3MBTL1 (0.49) LMNAHDAC1HDAC2HDAC6MAPK1
SCHEMBL18667570 0.82 HRH3 (0.44) —
SCHEMBL18667605 0.82 ATP4A (0.49) KDM4E
Hydrochloric Acid SCHEMBL18641385 0.81 RAB9A (0.42) RAB9ALMNAMAPTHDAC1HDAC2
SCHEMBL18667084 0.81 KMT2A (0.47) RAB9AMAPTHDAC1HDAC2SMN1; SMN2

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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