SCHEMBL13963450

SCHEMBL13963450

Cc1c(/C=C/C23OCCN2c2ccccc2S3)c2ccccc2n1CC(=O)NCCSSCCNC(=O)Cn1c(C)c(/C=C/C23OCCN2c2ccccc2S3)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ POLB P06746 3/20 0.37
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL13963361 0.92 SMN1; SMN2 (0.41) SMN1; SMN2KMT2APOLBHTTLMNA
SCHEMBL13963449 0.81 SMN1; SMN2 (0.42) SMN1; SMN2KMT2APOLBHTTLMNA
SCHEMBL13963353 0.73 SMN1; SMN2 (0.42) SMN1; SMN2KMT2APOLBHTTLMNA
SCHEMBL3933371 0.73 SMN1; SMN2 (0.71) SMN1; SMN2KMT2APOLBHTTLMNA
SCHEMBL13926446 0.70 KMT2A (0.67) SMN1; SMN2KMT2APOLBHTTLMNA
SCHEMBL13908688 0.69 SMN1; SMN2 (0.63) SMN1; SMN2KMT2APOLBHTTLMNA
SCHEMBL13926697 0.64 SMN1; SMN2 (0.37) SMN1; SMN2KMT2APOLBHTTMEN1
SCHEMBL13926703 0.62 KMT2A (0.55) SMN1; SMN2KMT2APOLBHTTLMNA
SCHEMBL13926076 0.61 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AHTTMEN1TDP1
SCHEMBL13963364 0.61 MAPT (0.33) SMN1; SMN2KMT2APOLBHTTLMNA

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-2009010694-A2 DYEING METHOD USING A STYRYL- OR IMINE-TYPE DISULFIDE/THIOL COMPOUND AND STIMULI, COMPOSITION AND DEVICE FOR IMPLEMENTING SAME L'OREAL (FR) 2009-01-22 — — WO disclosed
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