SCHEMBL9181900

SCHEMBL9181900

CSc1c(N)c(C(C)C)cc(C(C)C)c1N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
GFER P55789 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL8796935 0.76 SLC6A4 (0.33) CA1CA2GAAPOLBGFER
SCHEMBL22181064 0.73 LMNA (0.33) HTT
SCHEMBL740098 0.72 POLB (0.38) CA1CA2GAAPOLBGFER
SCHEMBL341228 0.72 CA1 (0.35) CA1CA2GAAPOLBGFER
SCHEMBL23234710 0.70 ALDH1A1 (0.34) GAAPOLBGFERALDH1A1HTT
SCHEMBL9183352 0.70
SCHEMBL12808355 0.69 ALDH1A1 (0.34) GAAALDH1A1
SCHEMBL2155116 0.69 ALDH1A1 (0.38) CA1CA2GAAPOLBGFER
SCHEMBL461449 0.69 CA1 (0.55) CA1CA2GAAPOLBGFER
SCHEMBL19197818 0.68 CA1 (0.32) CA1CA2GAAPOLBGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484572-B1 Aromatic diamines ALBEMARLE CORP (US) 1995-07-05 EP claimed
EP-0484572-A1 Aromatic diamines ALBEMARLE CORPORATION (US) 1992-05-13 EP claimed
US-5037995-A Aromatic diamine mixtures ETHYL CORPORATION (US) 1991-08-06 US claimed
US-4973760-A Aromatic diamines ETHYL CORPORATION (US) 1990-11-27 US claimed
EP-0484572-B1 Aromatic diamines ALBEMARLE CORP (US) 1995-07-05 EP disclosed
EP-0484572-A1 Aromatic diamines ALBEMARLE CORPORATION (US) 1992-05-13 EP disclosed
US-5064927-A ROOM TEMPERATURE COATINGS; REACTION INJECTION MOLDING POLYMERS ETHYL CORPORATION (US) 1991-11-12 US disclosed
US-5037995-A Aromatic diamine mixtures ETHYL CORPORATION (US) 1991-08-06 US disclosed
US-4973760-A Aromatic diamines ETHYL CORPORATION (US) 1990-11-27 US disclosed