SCHEMBL13634860

SCHEMBL13634860

COC(=O)c1ccccc1NC(=O)c1coc(N2CC[C@@H](Oc3ncccn3)[C@@H](F)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 3/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 4/20 0.39
RAB9A P51151 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 4/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL13163168 0.92 TSHR (0.40) POLBLMNASMN1; SMN2TDP1HPGD
SCHEMBL13270803 0.92 HCAR2 (0.40) SMN1; SMN2TP53HPGDCYP1A2CYP2C9
SCHEMBL13634787 0.92 HCAR2 (0.40) SMN1; SMN2TP53HPGDCYP1A2CYP2C9
SCHEMBL13634504 0.91 PIM1 (0.37) POLBLMNASMN1; SMN2
SCHEMBL13634890 0.90 ALDH1A1 (0.37) LMNASMN1; SMN2HPGDKDM4EMAPT
SCHEMBL13634726 0.88 GPR6 (0.38) POLBLMNAHPGDKDM4EMAPT
SCHEMBL13634625 0.87 MEN1 (0.40) SMN1; SMN2HPGDTSHRKDM4EHSD17B10
SCHEMBL13634544 0.87 MEN1 (0.40) SMN1; SMN2HPGDTSHRKDM4EHSD17B10
SCHEMBL13634745 0.86 BCL3 (0.36) POLBLMNAMAPTALDH1A1KMT2A
SCHEMBL13634553 0.86 BCL3 (0.36) POLBLMNAMAPTALDH1A1KMT2A

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