SCHEMBL19006001

SCHEMBL19006001

CCCOc1cc2c(cc1CN)SCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.37
HTR2C P28335 7/20 0.36
HTR2B P41595 6/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
CTNNB1 P35222 2/20 0.32
WNT3A P56704 2/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 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
SCHEMBL19005965 0.81 CSNK2A1 (0.35) CSNK2A1HTR2CHTR2BHTR2ANOS3
SCHEMBL996712 0.77 CA9 (0.45) CTNNB1WNT3ATSHRKDM4EMEN1
SCHEMBL997868 0.74 CA9 (0.45) CTNNB1WNT3ATSHRKDM4EMEN1
SCHEMBL19005979 0.71 HTT (0.36) MAPK1SMN1; SMN2NPSR1KDM4EMEN1
SCHEMBL19005986 0.66 CSNK2A1 (0.34) CSNK2A1HTR2CHTR2BHTR2ANOS3
SCHEMBL7258246 0.65 RAB9A (0.35) CTNNB1LMNAMAPK1SMN1; SMN2NPSR1
SCHEMBL17959498 0.64 CSNK2A1 (0.42) CSNK2A1HTR2CHTR2ANOS3NOS1
SCHEMBL15345637 0.63 TLR8 (0.54) CSNK2A1HTR2CHTR2BNOS3NOS1
SCHEMBL997828 0.60 CA9 (0.50) TSHRSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL997661 0.60 TUBB4A (0.46) CTNNB1WNT3ALMNATSHRSMN1; SMN2

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