SCHEMBL9853492

SCHEMBL9853492

NN=C(c1ccccc1)c1cc(Cl)ccc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.77
KMT2A Q03164 2/20 0.77
GFER P55789 1/20 0.77
RECQL P46063 1/20 0.49
FADS1 O60427 1/20 0.41
S100B P04271 1/20 0.40
GRIN2B Q13224 1/20 0.40
ALOX15 P16050 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL12253477 0.87 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AGFERRECQLFADS1
SCHEMBL11459872 0.87 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AGFERRECQLFADS1
SCHEMBL14399951 0.81 KMT2A (0.68) SMN1; SMN2KMT2AGFERRECQLFADS1
SCHEMBL8316276 0.79 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AGFERRECQLFADS1
SCHEMBL14399954 0.79 KMT2A (0.65) SMN1; SMN2KMT2AGFERRECQLFADS1
SCHEMBL14100042 0.79 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AGFERRECQLFADS1
SCHEMBL14099960 0.79 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AGFERRECQLGRIN2B
SCHEMBL9853483 0.78 MAPT (0.53) SMN1; SMN2KMT2AGFERALOX15CYP3A4
SCHEMBL9853569 0.78 GFER (0.63) SMN1; SMN2KMT2AGFERRECQLFADS1
SCHEMBL14399909 0.78 GFER (0.63) SMN1; SMN2KMT2AGFERRECQLFADS1

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
EP-0433526-A1 Medicine for the treatment of heart-circulatory illnesses, of arrhythmics in particular Richter, Peter, Prof. Dr.sc.nat. (DE) 1991-06-26 EP disclosed