SCHEMBL21880255

SCHEMBL21880255

ClC1(c2ccc(-c3ccc(C4(Cl)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDK2 Q15119 14/20 0.38
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 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
SCHEMBL11510200 0.86 S100A4 (0.45) S100A4KDM4EMEN1LMNAMAPT
SCHEMBL8984574 0.83 MAPT (0.64) S100A4KDM4EMEN1LMNAMAPT
SCHEMBL11520942 0.83 PDK2 (0.41) S100A4KDM4EMEN1LMNAMAPT
SCHEMBL21880251 0.81 PDK2 (0.41) S100A4KDM4EMEN1LMNAMAPT
SCHEMBL21880229 0.81 KDM4E (0.38) S100A4KDM4EMEN1LMNAMAPT
Methylamine SCHEMBL8984802 0.80 SMN1; SMN2 (0.41) S100A4KDM4EMEN1LMNAMAPT
SCHEMBL21880253 0.77 BCHE (0.35) MEN1MAPTKMT2ATDP1CYP1A2
SCHEMBL11470054 0.74 CFTR (0.46) S100A4KDM4EMEN1LMNAMAPT
SCHEMBL20404447 0.74 SMN1; SMN2 (0.36) S100A4KDM4EMEN1LMNAMAPT
SCHEMBL11452114 0.74 MDM2 (0.43) S100A4MEN1KMT2ASMN1; 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
US-10604618-B2 Compound, method for manufacturing the compound, and composition for forming organic film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-03-31 US disclosed