SCHEMBL14091995

SCHEMBL14091995

COc1ccc(/C=C2/OC(S)N(C(C)=O)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B3 P37058 1/20 0.43
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
AKR1B1 P15121 1/20 0.41
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.40
KIT P10721 1/20 0.40
PARP1 P09874 1/20 0.40
CA9 Q16790 1/20 0.39
SERPINE1 P05121 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL13708200 0.71 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2HSD17B3CLK1
SCHEMBL85753 0.70 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2HSD17B3ACHE
SCHEMBL14411202 0.65 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2HSD17B3ACHE
SCHEMBL8573167 0.64 HRH3 (0.64) ALDH1A1CLK1DYRK1ADYRK1BAKR1B1
SCHEMBL8411264 0.64 HRH3 (0.64) ALDH1A1CLK1DYRK1ADYRK1BAKR1B1
SCHEMBL8411263 0.64 HRH3 (0.64) ALDH1A1CLK1DYRK1ADYRK1BAKR1B1
SCHEMBL14259260 0.62 CYP1A2 (0.47) ALDH1A1LMNASMN1; SMN2CLK1DYRK1A
SCHEMBL13875492 0.62 F3 (0.44) ALDH1A1LMNASMN1; SMN2CLK1DYRK1A
SCHEMBL18973523 0.62 MAPT (0.62) ALDH1A1CA9MAPT
SCHEMBL18660583 0.62 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2HSD17B3CLK1

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-20080184930-A1 INK-JET RECORDING DEVICE FUJIFILM CORPORATION (JP) 2008-08-07 US disclosed
US-20080184930-A1 INK-JET RECORDING DEVICE FUJIFILM CORPORATION (JP) 2008-08-07 US disclosed