SCHEMBL2806281

SCHEMBL2806281

O=Cc1c(Cl)cc(N2CCCC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.49
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
IP6K1 Q92551 1/20 0.43
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
ADRB1 P08588 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
HTT P42858 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL1250428 0.83 ALDH3A1 (0.53) ALDH1A3ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4938336 0.83 ADRB1 (0.61) ALDH1A1KDM4ELMNACHRM2CHRM4
SCHEMBL9694007 0.81 ALDH1A1 (0.48) ALDH1A3ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL9830754 0.76 IP6K1 (0.45) ALDH1A3ALDH1A1SMN1; SMN2KDM4EIP6K1
SCHEMBL18297686 0.76 ALDH1A1 (0.47) ALDH1A3TRIM24TRIM33ALDH1A1SMN1; SMN2
SCHEMBL15093843 0.76 ALDH1A1 (0.59) ALDH1A3TRIM24TRIM33ALDH1A1SMN1; SMN2
SCHEMBL20556701 0.74 TRIM24 (0.55) ALDH1A3TRIM24TRIM33ALDH1A1SMN1; SMN2
SCHEMBL23932966 0.74 ALDH1A1 (0.58) ALDH1A3TRIM24TRIM33ALDH1A1SMN1; SMN2
SCHEMBL2273801 0.73 ADRB1 (0.58) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9829419 0.73 ADRB1 (0.64) TRIM24TRIM33ALDH1A1SMN1; SMN2IP6K1

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
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed