SCHEMBL14379296

SCHEMBL14379296

O=C1N/C(=N\c2ccccc2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ GSK3B P49841 1/20 0.54
▸ LRRK2 Q5S007 5/20 0.53
▸ IDO1 P14902 2/20 0.53
▸ CASP3 P42574 1/20 0.47
▸ CASP2 P42575 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ CASP8 Q14790 1/20 0.47
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ FER P16591 1/20 0.41
▸ LTK P29376 1/20 0.41
▸ CDK8 P49336 1/20 0.41

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
SCHEMBL2617090 0.94 GSK3B (0.56) SMN1; SMN2GSK3BLRRK2IDO1CASP3
SCHEMBL2617071 0.89 SMN1; SMN2 (0.54) SMN1; SMN2GSK3BLRRK2IDO1CASP3
SCHEMBL5329162 0.85 SMN1; SMN2 (0.47) SMN1; SMN2GSK3BLRRK2IDO1CASP3
SCHEMBL5333752 0.85 SMN1; SMN2 (0.47) SMN1; SMN2GSK3BLRRK2IDO1CASP3
SCHEMBL12386245 0.82 GSK3B (0.56) SMN1; SMN2GSK3BLRRK2IDO1CASP3
SCHEMBL12386240 0.80 SMN1; SMN2 (0.47) SMN1; SMN2GSK3BLRRK2IDO1CASP3
SCHEMBL13995656 0.78 GSK3B (0.56) SMN1; SMN2GSK3BLRRK2IDO1CASP3
SCHEMBL3131926 0.76 SMN1; SMN2 (0.42) SMN1; SMN2LRRK2IDO1MAPTLMNA
SCHEMBL3131932 0.76 SMN1; SMN2 (0.42) SMN1; SMN2LRRK2IDO1MAPTLMNA
SCHEMBL11241188 0.75 GSK3B (0.58) SMN1; SMN2GSK3BLRRK2IDO1CASP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070226919-A1 Method for Dyeing or Printing Textile Materials HUNTSMAN INTERNATIONAL LLC (US) 2007-10-04 — — US disclosed
US-20070226919-A1 Method for Dyeing or Printing Textile Materials HUNTSMAN INTERNATIONAL LLC (US) 2007-10-04 — — US disclosed
Send feedback