SCHEMBL7735241

SCHEMBL7735241

CSc1sc(C(=N)N)cc1C(=N)N(C)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C1S P09871 12/20 0.53
PLAU P00749 7/20 0.52
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
Hydrochloric Acid SCHEMBL6923914 0.99 C1S (0.52) C1SPLAUHDAC3HDAC4HDAC1
SCHEMBL7735910 0.88 C1S (0.54) C1SPLAUHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL6925414 0.87 C1S (0.53) C1SPLAUHDAC3HDAC4HDAC1
SCHEMBL7736645 0.78 C1S (0.55) C1SPLAU
Hydrochloric Acid SCHEMBL6925651 0.77 C1S (0.54) C1SPLAU
SCHEMBL7359059 0.76 C1S (0.53) C1SPLAU
Hydrochloric Acid SCHEMBL6924675 0.75 C1S (0.52) C1SPLAU
SCHEMBL7736159 0.75 C1S (0.55) C1SPLAUHDAC3HDAC4HDAC1
SCHEMBL7735938 0.73 C1S (0.53) C1SPLAUHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL6924633 0.72 C1S (0.52) C1SPLAUHDAC3HDAC4HDAC1

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-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US claimed