SCHEMBL4719683

SCHEMBL4719683

COc1cccc(-c2nn(-c3cc(N4CC(CO)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3CCO)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CXCR3 P49682 1/20 0.34
S1PR1 P21453 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
RORC P51449 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MCHR1 Q99705 1/20 0.32
NAAA Q02083 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL4723157 0.94 F10 (0.32) MAPTCXCR3LGALS3
SCHEMBL4719462 0.92 CXCR3 (0.35) SMN1; SMN2USP2LMNAGAAMAPT
SCHEMBL4766343 0.91 F10 (0.31) CXCR3CYP2C9
SCHEMBL4722697 0.91 CYP3A4 (0.35) LMNAMAPTALDH1A1KDM4EHCRTR1
SCHEMBL4719800 0.90 F10 (0.37) SMN1; SMN2USP2LMNAGAAMAPT
SCHEMBL4719795 0.90 F10 (0.37) SMN1; SMN2USP2LMNAGAAMAPT
SCHEMBL4724909 0.89 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL4723936 0.89 SMN1; SMN2 (0.35) SMN1; SMN2USP2LMNAGAAMAPT
SCHEMBL4720845 0.88 PDE4A (0.36) CXCR3LGALS3KCNK3PDE4APDE4B
SCHEMBL4721664 0.87 F10 (0.35) MAPTCXCR3LGALS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed