SCHEMBL2765372

SCHEMBL2765372

CCOC(=O)c1csc(C#Cc2cc(OC)c(OC)c(OC)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
TSHR P16473 1/20 0.61
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 6/20 0.46
MAPT P10636 6/20 0.46
NPC1 O15118 5/20 0.46
HSP90AA1 P07900 2/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
GAA P10253 1/20 0.44
ABCB1 P08183 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL2765292 0.84 ECE1 (0.46) HPGDTSHRRAB9AMAPTALDH1A1
SCHEMBL2764014 0.78 HPGD (0.63) HPGDTSHRNPSR1LMNAHSD17B10
SCHEMBL28268426 0.77 CYP1A2 (0.59) HPGDTSHRNPSR1LMNAHSD17B10
SCHEMBL4639967 0.76 RAB9A (0.54) HPGDTSHRNPSR1RAB9AMAPT
SCHEMBL2764450 0.76 HPGD (1.00) HPGDTSHRNPSR1LMNAHSD17B10
SCHEMBL2764743 0.75 HDAC1 (0.40) HPGDTSHRLMNAHSD17B10RAB9A
SCHEMBL19609101 0.75 RAB9A (0.55) HPGDTSHRNPSR1LMNARAB9A
SCHEMBL1549088 0.75 RAB9A (0.55) HPGDTSHRNPSR1RAB9AMAPT
SCHEMBL18296687 0.73 RAB9A (0.50) HPGDTSHRNPSR1LMNAHSD17B10
SCHEMBL1548729 0.73 RAB9A (0.59) HPGDTSHRNPSR1LMNARAB9A

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 5 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
CN-100491355-C Cyclic diamine compound having five-membered cyclic group KOWA CO (JP) 2009-05-27 CN disclosed
CN-1522250-A Cyclic diamine compound having five-membered cyclic group ������������ʽ���� 2004-08-18 CN 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