SCHEMBL21880229

SCHEMBL21880229

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
S100A4 P26447 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDK2 Q15119 3/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
THRB P10828 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
SCHEMBL21880255 0.81 S100A4 (0.42) KDM4EMAPTS100A4MEN1LMNA
SCHEMBL11510200 0.81 S100A4 (0.45) KDM4EMAPTS100A4MEN1LMNA
SCHEMBL11520942 0.78 PDK2 (0.41) KDM4EMAPTS100A4MEN1LMNA
SCHEMBL8984574 0.78 MAPT (0.64) KDM4EMAPTS100A4MEN1LMNA
SCHEMBL21880251 0.76 PDK2 (0.41) KDM4EMAPTS100A4MEN1LMNA
SCHEMBL21880228 0.76 PDK2 (0.41) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL30534896 0.76 MEN1 (0.57) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL2790658 0.76 MEN1 (0.57) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL30561153 0.76 MEN1 (0.57) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL398497 0.76 MEN1 (0.57) KDM4EMAPTMEN1LMNAOPRK1

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