SCHEMBL8912088

SCHEMBL8912088

COC(=C=O)Cc1ccc(N(CCOS(C)(=O)=O)C(=O)Nc2ccc(C#N)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
RORC P51449 4/20 0.36
SIRT2 Q8IXJ6 2/20 0.35
POLB P06746 3/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
PSMB5 P28074 1/20 0.33
MCHR1 Q99705 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
PTK2 Q05397 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
IL18 Q14116 1/20 0.32

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
SCHEMBL8577375 0.86 ALDH1A1 (0.37) CYP19A1RORCSIRT2POLBSAE1
SCHEMBL8912085 0.84 CYP19A1 (0.34) CYP19A1RORCSIRT2POLBSAE1
SCHEMBL8912796 0.77 MEN1 (0.40) CYP19A1RORCSIRT2POLBSAE1
SCHEMBL8570032 0.76 ALDH1A1 (0.38) CYP19A1RORCSIRT2POLBSAE1
SCHEMBL8913188 0.76 PTGER1 (0.37) CYP19A1RORCSIRT2MEN1KMT2A
SCHEMBL8913010 0.75 ALDH1A1 (0.36) CYP19A1RORCSIRT2POLBSAE1
SCHEMBL8571774 0.73 CYP11B1 (0.39) RORCPOLBSAE1UBA2MEN1
SCHEMBL8574886 0.73 ALDH1A1 (0.41) RORCSIRT2POLBSAE1UBA2
SCHEMBL8911497 0.72 PSMB5 (0.38) RORCSIRT2POLBSAE1UBA2
SCHEMBL8911262 0.71 SIRT2 (0.38) RORCSIRT2POLBSAE1UBA2

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-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed