SCHEMBL2765451

SCHEMBL2765451

CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
FAAH O00519 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4692400 0.81 MAPT (0.66) FAAHMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3664984 0.79 SMN1; SMN2 (0.68) HSD17B10FAAHSMN1; SMN2MAPTPOLB
SCHEMBL4692437 0.77 FAAH (0.58) HSD17B10TSHRFAAHSMN1; SMN2MAPT
SCHEMBL25326552 0.77 SYK (0.63)
SCHEMBL2763992 0.77 TDP1 (0.50) HSD17B10TSHRFAAHMEN1KMT2A
SCHEMBL4689595 0.76 MAPT (0.58) FAAHMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5340156 0.76 FAAH (0.57) HSD17B10FAAHMEN1KMT2ASMN1; SMN2
SCHEMBL5022767 0.76 TSHR (0.58) TSHRFAAHMEN1KMT2ASMN1; SMN2
SCHEMBL4222851 0.75 SMN1; SMN2 (0.50) FAAHMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2562448 0.74 FAAH (0.53) TSHRFAAHSMN1; SMN2MAPTPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400515-B1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP KOWA CO (JP) 2010-04-14 EP disclosed
EP-1400515-A1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6472386-B1 Cyclic diamine compound with 5-membered ring groups KOWA CO., LTD. (JP) 2002-10-29 US disclosed