SCHEMBL18898641

SCHEMBL18898641

Cc1ccc2sc(=O)n(C(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
CYP2A6 P11509 1/20 0.41
PARP10 Q53GL7 2/20 0.41
PARP15 Q460N3 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
NR1I2 O75469 1/20 0.40
EGFR P00533 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS2 P35354 1/20 0.40
OPRD1 P41143 1/20 0.40
PDE4D Q08499 1/20 0.40
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL22113080 0.86 CNR2 (0.50) CNR2CYP2A6PARP10PARP15TNKS2
SCHEMBL17807765 0.83 CNR2 (0.41) CNR2PARP10PARP15TNKS2PARP2
SCHEMBL14086888 0.81 TMEM97 (0.46) CNR2RAB9ATDP1
SCHEMBL28091445 0.81 SIGMAR1 (0.41) CNR2ALDH1A1L3MBTL1SLC6A2SLC6A4
SCHEMBL5956419 0.77 SLC6A2 (0.52) CNR2RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9886026 0.77 CYP2A6 (0.44) CYP2A6PARP10PARP15TNKS2PARP2
SCHEMBL10365163 0.71 CNR2 (0.49) CNR2SMN1; SMN2ALDH1A1TSHRTP53
SCHEMBL3032933 0.71 CNR2 (0.49) CNR2PARP10PARP15TNKS2PARP2
SCHEMBL11397522 0.71 PARP10 (0.46) CYP2A6PARP10PARP15TNKS2PARP2
SCHEMBL14160826 0.69 NR1I2 (0.54) NR1I2EGFRADRA2AADORA3TBXA2R

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
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed