SCHEMBL14219128

SCHEMBL14219128

CCCCC(=O)OC1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)c2ccnc(SC)n2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
MAPK14 Q16539 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SYK P43405 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL4859291 0.86 USP2 (0.39) USP2MAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL4850650 0.85 USP2 (0.36) USP2MAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL4853567 0.81 USP2 (0.41) USP2MAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL14219125 0.73 HTR2C (0.38) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14219129 0.71 MAPK14 (0.41) MAPK14
SCHEMBL2891578 0.69 LMNA (0.42) USP2MAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL14219124 0.69 SMN1; SMN2 (0.40) USP2SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL14219127 0.69 SMN1; SMN2 (0.40) USP2SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL14294141 0.68 SMN1; SMN2 (0.36) USP2SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL6202498 0.63 SCN9A (0.39) SMN1; SMN2ALDH1A1LMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368455-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-7326714-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-02-05 US disclosed