SCHEMBL13638952

SCHEMBL13638952

COCCNC(=O)c1cc(C2CCNC2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.37
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
MAPK1 P28482 1/20 0.35
PIN1 Q13526 3/20 0.34
USP25 Q9UHP3 1/20 0.34

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
SCHEMBL13634773 0.94 CHEK1 (0.37) CHEK1HDAC3HDAC2PIN1USP25
SCHEMBL13638923 0.88 PIN1 (0.35) CHEK1MAPK1PIN1
SCHEMBL13639003 0.86 PIN1 (0.37) CHEK1MAPK1PIN1
SCHEMBL2773656 0.85 KDM4E (0.43)
SCHEMBL13638837 0.85 SCD (0.40) PIN1
SCHEMBL2770504 0.85 PIN1 (0.37) CHEK1HDAC3HDAC2MAPK1PIN1
SCHEMBL2770606 0.85 PIN1 (0.37) CHEK1MAPK1PIN1
SCHEMBL13164118 0.85 CHEK1 (0.36) CHEK1HDAC3HDAC2MAPK1
SCHEMBL13270439 0.85 CHEK1 (0.36) CHEK1HDAC3HDAC2MAPK1
SCHEMBL2770055 0.84 PARP1 (0.38) PIN1

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed