SCHEMBL24256511

SCHEMBL24256511

CC(C)c1cccc2nc(C#N)sc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.59
GSK3A P49840 4/20 0.41
GSK3B P49841 4/20 0.41
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL24256515 0.77 PSMB8 (0.41) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL18368366 0.76 RAB9A (0.40) CDK1CCNB1FAAHCA1CA2
SCHEMBL19224384 0.76 TLR8 (0.46) FAAHCA1CA2LMNACYP1A2
SCHEMBL8040147 0.76 PSMB8 (0.67) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL21063750 0.75 PSMB8 (0.65) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL18905196 0.75 SMN1; SMN2 (0.44) FAAHCA1CA2LMNACYP1A2
SCHEMBL30938811 0.66 PSMB8 (0.53) PSMB8LMNACYP1A2CYP3A4HPGD
SCHEMBL492446 0.66 PSMB8 (0.53) PSMB8LMNACYP1A2CYP3A4HPGD
SCHEMBL26580900 0.65 HPGD (0.33) FAAHCA1CA2LMNACYP1A2
SCHEMBL17211305 0.65 RAB9A (0.59) PSMB8GSK3AGSK3BMAPT

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-2022035997-A1 IN VIVO ASSEMBLY OF ASGPR BINDING THERAPEUTICS AVILAR THERAPEUTICS, INC. (US) 2022-02-17 WO disclosed