SCHEMBL13634716

SCHEMBL13634716

COC(=O)c1cc(CCl)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
SCD O00767 1/20 0.38
PTPN1 P18031 1/20 0.38
GPR6 P46095 5/20 0.38
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
CHEK1 O14757 2/20 0.37
FGFR1 P11362 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL13634719 0.91 HRH3 (0.39) HRH3SCDPTPN1GPR6OPRK1
SCHEMBL13634794 0.90 HRH3 (0.38) HRH3SCDPTPN1GPR6OPRK1
SCHEMBL13634876 0.89 GLS (0.41) SCDGPR6OPRK1KMT2AFGFR1
SCHEMBL2772028 0.89 OPRK1 (0.42) OPRK1KMT2ASMN1; SMN2IRAK4
SCHEMBL13634599 0.86 GPR6 (0.37) HRH3SCDGPR6OPRK1KMT2A
SCHEMBL13634885 0.85 GLS (0.41) HRH3SCDGPR6OPRK1KMT2A
SCHEMBL13634650 0.85 IRAK4 (0.50) OPRK1KMT2ALMNAIRAK4
SCHEMBL13634527 0.85 HRH3 (0.41) HRH3SCDGPR6CHEK1FGFR1
SCHEMBL13634591 0.84 ALDH1A1 (0.36) HRH3PTPN1OPRK1KMT2AFGFR1
SCHEMBL13634681 0.84 HRH3 (0.38) HRH3SCDPTPN1GPR6OPRK1

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