SCHEMBL12068669

SCHEMBL12068669

C/C=C\C(=N/C)NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ LMNA P02545 5/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ HTT P42858 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MCOLN3 Q8TDD5 1/20 0.46
▸ HDAC1 Q13547 1/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ SIRT1 Q96EB6 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL12069186 0.86 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL12068652 0.80 EPHX1 (0.54) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL12067844 0.80 MAPT (0.47) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL12067341 0.72 SIRT1 (0.71) ALDH1A1LMNASMN1; SMN2MAPTSIRT1
SCHEMBL12067852 0.72 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL5690964 0.72 HDAC1 (0.72) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL12067850 0.71 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL2344164 0.71 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL28662121 0.70 SIRT1 (0.68) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL14819017 0.70 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2RAB9AMAPT

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-2011159137-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT (주)에빅스젠 (KR) 2011-12-22 — — WO disclosed
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