SCHEMBL19005986

SCHEMBL19005986

CCCOc1cc2c(cc1CN)OCS2(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.34
HTR2C P28335 10/20 0.33
HTR2B P41595 6/20 0.33
HTR2A P28223 3/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL19005916 0.87 RAB9A (0.31) TP53LMNAALOX15TSHRRAB9A
SCHEMBL19005967 0.76 GAA (0.36) TP53SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL19005974 0.71 LMNA (0.38) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL19005965 0.70 CSNK2A1 (0.35) CSNK2A1HTR2CHTR2BHTR2ANOS3
SCHEMBL996977 0.68 TUBB4A (0.52) TP53LMNAALOX15TSHRRAB9A
SCHEMBL19005989 0.67 HDAC1 (0.37) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL19005997 0.67 SIGMAR1 (0.34) TP53SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL19006001 0.66 CSNK2A1 (0.37) CSNK2A1HTR2CHTR2BHTR2ANOS3
SCHEMBL17959498 0.64 CSNK2A1 (0.42) CSNK2A1HTR2CHTR2ANOS3NOS1
SCHEMBL15345637 0.63 TLR8 (0.54) CSNK2A1HTR2CHTR2BNOS3NOS1

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-2017103637-A1 DIPHENYLPROPANE COMPOUNDS AND THEIR CYTOTOXIC ACTIVITY BLIRT S.A. (PL) 2017-06-22 WO disclosed