SCHEMBL22645006

SCHEMBL22645006

CNc1c(C(C)=O)sc2nc(C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.52
IKBKB O14920 1/20 0.52
MAPT P10636 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 5/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
USP28 Q96RU2 8/20 0.40
USP25 Q9UHP3 6/20 0.40
SLC14A1 Q13336 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 2/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL24595746 0.87 IKBKB (0.67) LIMK1IKBKBMAPTRAB9ANPC1
SCHEMBL12562427 0.78 LIMK1 (0.77) LIMK1IKBKBMAPTRAB9ANPC1
SCHEMBL24248146 0.78 THRB (0.47) LIMK1IKBKBMAPTRAB9ANPC1
SCHEMBL24248149 0.77 ALDH1A1 (0.42) LIMK1IKBKBMAPTRAB9ANPC1
SCHEMBL14191227 0.76 LIMK1 (0.50) LIMK1IKBKBMAPTALDH1A1NPSR1
SCHEMBL25487830 0.75 LIMK1 (0.35) LIMK1IKBKBMAPTRAB9ANPC1
SCHEMBL22645007 0.75 KDM4E (0.47) LIMK1IKBKBMAPTRAB9ANPC1
SCHEMBL22644971 0.72 ACACB (0.41) LIMK1IKBKBUSP28USP25
SCHEMBL22644973 0.72 ACACB (0.41) LIMK1IKBKBUSP28USP25
SCHEMBL4126822 0.70 IKBKB (0.52) LIMK1IKBKBMAPTRAB9ANPC1

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-2020224652-A1 UBIQUITIN-SPECIFIC PROTEASE INHIBITORS, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 北京普济远成生物科技有限公司 2020-11-12 WO disclosed