SCHEMBL13638912

SCHEMBL13638912

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRK1 P41145 1/20 0.39
F10 P00742 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
WNT3A P56704 1/20 0.38
PDE4B Q07343 1/20 0.38
S1PR1 P21453 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL2772472 0.95 KMT2A (0.49) KMT2AMAPTTSHRMEN1ALDH1A1
SCHEMBL13634884 0.94 S1PR1 (0.40) KMT2AMAPTTSHRMEN1ALDH1A1
SCHEMBL13638824 0.94 KMT2A (0.39) KMT2AF10
SCHEMBL2770055 0.94 PARP1 (0.38) KMT2ACYP2C9F10
SCHEMBL13639002 0.93 KMT2A (0.42) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL13638951 0.93 PDCD1 (0.40) KMT2A
SCHEMBL13270650 0.92 MAPT (0.39) KMT2AMAPTTSHRMEN1ALDH1A1
SCHEMBL2772043 0.92 KMT2A (0.48) KMT2AMAPTTSHRMEN1ALDH1A1
SCHEMBL13639001 0.92 KMT2A (0.38) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL2770243 0.92 KMT2A (0.38) KMT2AMEN1ALDH1A1CYP1A2CYP3A4

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