SCHEMBL13634794

SCHEMBL13634794

COC(=O)c1cc(CN2C(C)CCC2C)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
CHEK1 O14757 1/20 0.36
SCD O00767 1/20 0.36
PTPN1 P18031 1/20 0.36
GPR6 P46095 4/20 0.36
PARP1 P09874 1/20 0.35
TNK1 Q13470 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
FGFR1 P11362 1/20 0.35
MAPT P10636 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 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
SCHEMBL13634898 0.93 GPR6 (0.37) CHEK1SCDPTPN1GPR6PARP1
SCHEMBL13634719 0.93 HRH3 (0.39) HRH3CHEK1SCDPTPN1GPR6
SCHEMBL13638883 0.91 MCHR1 (0.35) CHEK1SCDGPR6PARP1TNK1
SCHEMBL13634716 0.90 HRH3 (0.40) HRH3CHEK1SCDPTPN1GPR6
SCHEMBL13634832 0.90 GPR6 (0.39) CHEK1SCDGPR6PARP1TNK1
SCHEMBL2772028 0.88 OPRK1 (0.42) OPRK1KMT2ASMN1; SMN2
SCHEMBL13634696 0.86 GPR6 (0.38) CHEK1SCDPTPN1GPR6OPRK1
SCHEMBL13638911 0.86 KMT2A (0.36) SCDGPR6OPRK1KMT2A
SCHEMBL13638939 0.86 KMT2A (0.36) SCDGPR6OPRK1KMT2A
SCHEMBL13270466 0.85 SCD (0.35) HRH3SCDGPR6PARP1TNK1

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