SCHEMBL5326317

SCHEMBL5326317

CC(=O)c1ccccc1-c1[c]cccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKACA P17612 1/20 0.38
FLT1 P17948 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38
KDR P35968 1/20 0.38
CSNK1A1 P48729 1/20 0.38

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
SCHEMBL10576583 0.84
SCHEMBL6157634 0.82 ALDH1A1 (0.50) SMN1; SMN2KDM4EALDH1A1LMNAMYC
SCHEMBL6606176 0.81 BCAT2 (0.55) CSNK1A1TYRO3DYRK1BCHEK1PDK2
SCHEMBL11649547 0.80 KDM4C (0.38) KDM4CDAPK3JAK2PRKD3MAP4K4
SCHEMBL6473527 0.80 ALDH1A1 (0.53) SMN1; SMN2KDM4EALDH1A1LMNAMEN1
SCHEMBL978600 0.79 KDM4C (0.50) KDM4CDAPK3JAK2PRKD3MAP4K4
SCHEMBL22320257 0.76 TSHR (0.61) PDK2KDM4EALDH1A1LMNAMEN1
SCHEMBL2761711 0.76 MEN1 (0.32) SMN1; SMN2KDM4EALDH1A1LMNAMEN1
SCHEMBL10966556 0.75 ALDH1A1 (0.53) SMN1; SMN2KDM4EALDH1A1KMT2APOLB
SCHEMBL28839450 0.75 SLC6A4 (0.41) KDM4CDAPK3JAK2PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
JP-10139724-A None JP disclosed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
JP-H10139724-A PRODUCTION OF 4-BIPHENYLYLACETIC ACID WAKO PURE CHEM IND LTD 1998-05-26 JP disclosed
US-4196215-A Alkyne compounds and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-04-01 US disclosed
US-4115456-A Alkyne compounds and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-19 US disclosed