SCHEMBL19648809

SCHEMBL19648809

CCOC(=O)Cc1csc(NNc2ccc(NNc3ccc(NNc4ccc(NC(C)CC)c5ccccc45)c4ccccc34)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
TP53 P04637 1/20 0.52
LTC4S Q16873 1/20 0.51
SHMT2 P34897 1/20 0.51
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
GALR3 O60755 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL19648795 0.89 LMNA (0.45) LMNATP53LTC4SSHMT2MAPT
SCHEMBL14866754 0.76 SHMT2 (0.43) LMNATP53LTC4SSHMT2MAPT
SCHEMBL19648806 0.76 MEN1 (0.39) LMNATP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL11374166 0.70 LMNA (0.64) LMNATP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL19648567 0.69 MAPT (0.46) LMNATP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL19648782 0.68 KDR (0.44)
SCHEMBL19648592 0.68 HPGD (0.46) LMNATP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL19648761 0.68 PLA2G7 (0.39) MAPTCYP2C19
SCHEMBL19648808 0.68 PLA2G7 (0.39) MAPTCYP2C19
SCHEMBL11009364 0.68 SMN1; SMN2 (0.69) LMNATP53MAPTSMN1; SMN2ALDH1A1

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-2580289-B1 BLACK DICHROIC DYE BASF SE (DE) 2017-11-29 EP disclosed