SCHEMBL15511481

SCHEMBL15511481

CCNC(=S)N(CC)N(CC)C(=S)NCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
KDM4A O75164 1/20 0.42
EHMT2 Q96KQ7 3/20 0.32
EHMT1 Q9H9B1 3/20 0.32
ABCB11 O95342 2/20 0.32
HTT P42858 2/20 0.32
GSDMD P57764 2/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
CYP2E1 P05181 1/20 0.32
PTGS1 P23219 1/20 0.32
PHGDH O43175 1/20 0.31
PLIN1 O60240 1/20 0.31
GMNN O75496 1/20 0.31
TRPA1 O75762 1/20 0.31
LMNA P02545 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
SCHEMBL5655078 0.79 L3MBTL1 (0.36) ALDH1A1CYP3A4HTTCA12CA1
SCHEMBL1334938 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4KDM4AEHMT2EHMT1
SCHEMBL11590019 0.76
SCHEMBL21051274 0.74
SCHEMBL28015087 0.70 ALDH1A1 (0.40) ALDH1A1CYP3A4KDM4AHTTMAPT
SCHEMBL9555588 0.70 CA12 (0.52) ALDH1A1CYP3A4KDM4AHTTCA12
SCHEMBL11693893 0.70
SCHEMBL28094907 0.69 ALDH1A1 (0.43) ALDH1A1CYP3A4KDM4A
Hydrochloric Acid SCHEMBL2786885 0.69
SCHEMBL3083011 0.67 ALDH1A1 (0.37) ALDH1A1CYP3A4KDM4A

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
US-20140065410-A1 ETHYLENE-PROPYLENE-DIENE RUBBER FOAMED MATERIAL, PRODUCING METHOD THEREOF, AND SEALING MATERIAL NITTO DENKO CORPORATION (JP) 2014-03-06 US disclosed