SCHEMBL28801047

SCHEMBL28801047

c1ccc(-c2cnc(N3CCSCC3)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
AR P10275 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
USP30 Q70CQ3 7/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KDR P35968 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LCAT P04180 1/20 0.41
CHEK1 O14757 1/20 0.40
CDK7 P50613 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL27874787 0.87 USP30 (0.47) RAB9AARL3MBTL1USP30ALDH1A1
SCHEMBL27891120 0.83 TDP1 (0.53) ALDH1A1MAPTMEN1KMT2AHDAC2
SCHEMBL10219367 0.83 CHEK1 (0.56) USP30CHEK1CDK7HDAC1HDAC2
SCHEMBL27891106 0.83 AR (0.58) RAB9AARUSP30ALDH1A1MEN1
SCHEMBL24019027 0.81 ALDH1A1 (0.43) RAB9AARL3MBTL1ALDH1A1MAPT
SCHEMBL27874789 0.80 MLYCD (0.43) USP30ALDH1A1MAPTLCAT
SCHEMBL24018889 0.80 SMN1; SMN2 (0.48) RAB9AARALDH1A1MAPTCHEK1
SCHEMBL27891131 0.77 LCAT (0.50) USP30LCAT
SCHEMBL24018894 0.77 MLYCD (0.37) RAB9AARL3MBTL1ALDH1A1MAPT
SCHEMBL10219825 0.75 LCAT (0.44) USP30LCAT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102725287-B 1,3, 4-oxadiazole-2-carboxamide compounds PHARMA IP GENERAL INC ASS 2015-07-01 CN disclosed
CN-102725287-A 1,3, 4-oxadiazole-2-carboxamide compounds PHARMA IP GENERAL INC ASS 2012-10-10 CN disclosed