SCHEMBL11269472

SCHEMBL11269472

CCC(C)SN(C(=O)c1ccccc1C(=O)N(SC(C)CC)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL11270200 0.88 TP53 (0.42) TP53POLBALDH1A1TSHRGLA
SCHEMBL11272720 0.83 POLB (0.45) TP53POLBALDH1A1TSHRGLA
SCHEMBL11249879 0.79 ALDH1A1 (0.37) TP53POLBALDH1A1TSHRGLA
SCHEMBL11259796 0.77 TP53 (0.46) TP53POLBALDH1A1TSHRGLA
SCHEMBL11264516 0.74 POLB (0.49) TP53POLBALDH1A1TSHRGLA
SCHEMBL11261813 0.74 TP53 (0.47) TP53POLBALDH1A1TSHRGLA
SCHEMBL11267616 0.72 TP53 (0.45) TP53POLBALDH1A1TSHRGLA
SCHEMBL11274274 0.70 NPC1 (0.43) TP53ALDH1A1TSHRLMNAMAPK1
SCHEMBL11272871 0.70 NPC1 (0.43) TP53ALDH1A1TSHRLMNAMAPK1
SCHEMBL11270036 0.70 NPC1 (0.43) TP53ALDH1A1TSHRLMNAMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4313892-A VULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1982-02-02 US disclosed
US-4248805-A Vulcanizable rubber compositions containing N-(sulfenyl) phthalamides as scorch inhibitors MONSANTO COMPANY (US) 1981-02-03 US disclosed