SCHEMBL5201716

SCHEMBL5201716

COc1cc(-c2cc(CNCCO)ccn2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.52
PDCD1 Q15116 3/20 0.52
GAA P10253 1/20 0.49
KDM4E B2RXH2 4/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TNF P01375 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.41
GLA P06280 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
SCHEMBL14381089 0.90 CD274 (0.58) CD274PDCD1KDM4EPOLBSMN1; SMN2
SCHEMBL4131157 0.84 GAA (0.50) GAAALDH1A1
SCHEMBL4109868 0.84 FYN (0.50) GAAALDH1A1RECQL
SCHEMBL5202347 0.82 GAA (0.47) GAAKDM4ESMN1; SMN2
SCHEMBL5679827 0.82 TUBB1 (0.45) GAAALDH1A1
SCHEMBL5203311 0.80 GAA (0.43) CD274PDCD1GAAKDM4ESMN1; SMN2
SCHEMBL13813556 0.79 PTGS2 (0.53) GAAALDH1A1
SCHEMBL7523189 0.79 KMT2A (0.56) CD274PDCD1GAAKDM4EPOLB
SCHEMBL4120272 0.78 GAA (0.46) GAAKDM4EALDH1A1L3MBTL1
SCHEMBL4122811 0.78 LOXL2 (0.53) GAAALDH1A1

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-1400521-B1 PIPERAZINE COMPOUNDS KOWA CO (JP) 2007-11-07 EP disclosed
CN-1309720-C Piperazine compounds KOWA CO (JP) 2007-04-11 CN disclosed
CN-1520408-A Piperazine compounds ������������ʽ���� 2004-08-11 CN disclosed
EP-1400521-A1 PIPERAZINE COMPOUNDS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6432957-B1 ANTIASTHMA; ANTIALLERGENS; RHEUMATIC DISEASES; ANTIINFLAMMATORY AGENTS KOWA CO., LTD. (JP) 2002-08-13 US disclosed