SCHEMBL11545773

SCHEMBL11545773

Nc1ccc(N=Nc2ccccc2)c(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
MAPK1 P28482 6/20 0.59
TDP1 Q9NUW8 5/20 0.59
MAPT P10636 5/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
NPC1 O15118 4/20 0.59
CYP3A4 P08684 4/20 0.53
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 2/20 0.53
HBB P68871 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM1 P11229 1/20 0.49
CYP2C9 P11712 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49

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
SCHEMBL11545770 1.00 MEN1 (0.59) MEN1KMT2AMAPK1TDP1MAPT
SCHEMBL7530534 0.77 CASP3 (0.61) MEN1KMT2AMAPK1TDP1MAPT
SCHEMBL7530530 0.77 CASP3 (0.61) MEN1KMT2AMAPK1TDP1MAPT
SCHEMBL27328547 0.76 MEN1 (0.63) MEN1KMT2AMAPK1TDP1MAPT
SCHEMBL29362584 0.74 MEN1 (1.00) MEN1KMT2AMAPK1TDP1MAPT
SCHEMBL243333 0.74 MEN1 (1.00) MEN1KMT2AMAPK1TDP1MAPT
SCHEMBL243332 0.74 MEN1 (1.00) MEN1KMT2AMAPK1TDP1MAPT
SCHEMBL31073963 0.74 MEN1 (1.00) MEN1KMT2AMAPK1TDP1MAPT
SCHEMBL15274139 0.74 MEN1 (1.00) MEN1KMT2AMAPK1TDP1MAPT
Hydrochloric Acid SCHEMBL5931731 0.73 MEN1 (0.96) MEN1KMT2AMAPK1TDP1MAPT

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-4154577-A Uniformly disperse dyed water-swellable cellulosic fibers BASF AKTIENGESELLSCHAFT (DE) 1979-05-15 US disclosed
US-3974123-A Dyes for thermoplastics BASF AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed