SCHEMBL13638776

SCHEMBL13638776

COC[C@@H](C)NC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1csc(N2CC[C@H](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 0.39
TSHR P16473 1/20 0.39
ACKR3 P25106 1/20 0.38
OPRK1 P41145 1/20 0.37
F10 P00742 1/20 0.37
AR P10275 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
S1PR1 P21453 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL13639000 0.95 KMT2A (0.41) KMT2AMAPTTSHRACKR3OPRK1
SCHEMBL2771912 0.95 KMT2A (0.41) KMT2AMAPTTSHRACKR3OPRK1
SCHEMBL13634766 0.94 KMT2A (0.41) KMT2AMAPTTSHROPRK1F10
SCHEMBL13164103 0.92 ACKR3 (0.36) KMT2AACKR3OPRK1
SCHEMBL13638912 0.91 KMT2A (0.47) KMT2AMAPTTSHROPRK1F10
SCHEMBL13638919 0.90 KMT2A (0.38) KMT2AACKR3OPRK1ARIRAK4
SCHEMBL13270640 0.89 F10 (0.40) KMT2AMAPTTSHROPRK1F10
SCHEMBL13634734 0.89 KMT2A (0.41) KMT2AMAPTTSHROPRK1F10
SCHEMBL13634758 0.89 KMT2A (0.41) KMT2AMAPTTSHROPRK1F10
SCHEMBL13270655 0.89 ACHE (0.41) KMT2AMAPTTSHROPRK1F10

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