SCHEMBL13639000

SCHEMBL13639000

COC[C@H](C)NC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1csc(N2CC(OC)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
OPRK1 P41145 1/20 0.39
F10 P00742 2/20 0.38
ACKR3 P25106 1/20 0.38
AR P10275 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
ACHE P22303 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL2771912 1.00 KMT2A (0.41) KMT2AMAPTTSHROPRK1F10
SCHEMBL13638776 0.95 KMT2A (0.41) KMT2AMAPTTSHROPRK1F10
SCHEMBL13634758 0.94 KMT2A (0.41) KMT2AMAPTTSHROPRK1F10
SCHEMBL13634734 0.94 KMT2A (0.41) KMT2AMAPTTSHROPRK1F10
SCHEMBL2772472 0.91 KMT2A (0.49) KMT2AMAPTTSHROPRK1F10
SCHEMBL13634766 0.89 KMT2A (0.41) KMT2AMAPTTSHROPRK1F10
SCHEMBL13634785 0.88 MAPK1 (0.43) KMT2AMAPTTSHROPRK1F10
SCHEMBL13634889 0.88 ACHE (0.42) KMT2AMAPTTSHROPRK1F10
SCHEMBL13164103 0.87 ACKR3 (0.36) KMT2AOPRK1ACKR3
SCHEMBL13634851 0.86 PDE4B (0.44) KMT2AF10

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