SCHEMBL11517352

SCHEMBL11517352

Clc1ccc2nnc3ccc(Cl)cc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
PIK3CG P48736 1/20 0.50
NR4A2 P43354 1/20 0.48
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
DYRK1A Q13627 1/20 0.46
PARP1 P09874 1/20 0.45
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 4/20 0.40
BCHE P06276 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR3 P46089 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
SCHEMBL11517561 0.89 GPR3 (0.61) SMN1; SMN2MAPTLMNAPIK3CGNR4A2
SCHEMBL38660517 0.89 GPR3 (0.61) SMN1; SMN2MAPTLMNAPIK3CGNR4A2
SCHEMBL16795439 0.80 MPO (0.45) SMN1; SMN2MAPTLMNAPIK3CGNR4A2
SCHEMBL31271850 0.80 MPO (0.45) SMN1; SMN2MAPTLMNAPIK3CGNR4A2
SCHEMBL11517388 0.78 TP53 (0.51) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL6096600 0.77 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAPIK3CGNR4A2
SCHEMBL30950666 0.77 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAPIK3CGNR4A2
SCHEMBL10914614 0.74 ALDH1A1 (0.45) SMN1; SMN2MAPTLMNAF7F3
SCHEMBL6112367 0.74 MAPT (0.41) SMN1; SMN2MAPTLMNAPIK3CGNR4A2
SCHEMBL30950665 0.74 SMN1; SMN2 (0.41) SMN1; SMN2MAPTLMNAPIK3CGNR4A2

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-4139530-A CATIONIC DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed