SCHEMBL6604117

SCHEMBL6604117

NC(=O)n1nccc1C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 5/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 3/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ PARP10 Q53GL7 1/20 0.30
▸ HCAR2 Q8TDS4 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
SCHEMBL6606933 0.97 PDE2A (0.35) PDE2APDE3BPDE3ANR3C2CDC7
SCHEMBL6605266 0.93 KDM4E (0.36) PDE2ANR3C2KDM4EHTTMEN1
SCHEMBL29743056 0.81 PDE2A (0.36) PDE2APDE3BPDE3AKDM4EHTT
SCHEMBL31517351 0.77 KDM4E (0.37) PDE2APDE3AKDM4EHTTALDH1A1
SCHEMBL9069105 0.67 — —
SCHEMBL865731 0.67 — —
SCHEMBL23797024 0.66 SMN1; SMN2 (0.36) KDM4EHTTMEN1ALDH1A1MAPT
SCHEMBL19723894 0.64 HCAR2 (0.42) KDM4EHTTALDH1A1HCAR2
SCHEMBL9410508 0.64 F2 (0.35) KDM4EHTTMEN1ALDH1A1MAPT
SCHEMBL28234013 0.64 LMNA (0.36) PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO disclosed
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