SCHEMBL6606933

SCHEMBL6606933

NC(=O)n1nccc1C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ EPHX1 P07099 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ KDM4B O94953 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ DOHH Q9BU89 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL6604117 0.97 PDE2A (0.34) PDE2APDE3BCDC7NR3C2PDE3A
SCHEMBL6605266 0.93 KDM4E (0.36) PDE2ANR3C2KDM4EKMT2AHTT
SCHEMBL29743056 0.84 PDE2A (0.36) PDE2APDE3BPDE3AKDM4EKMT2A
SCHEMBL31517351 0.77 KDM4E (0.37) PDE2APDE3AKDM4EHTTALDH1A1
SCHEMBL19723894 0.68 HCAR2 (0.42) KDM4EHTTNR1I2KDM4BCHRM1
SCHEMBL9069105 0.67 — —
SCHEMBL865731 0.67 — —
SCHEMBL28234013 0.67 LMNA (0.36) SMN1; SMN2PKM
SCHEMBL19723890 0.67 HCAR2 (0.41) PDE2APDE3BKDM4EHTTNR1I2
SCHEMBL9410508 0.64 F2 (0.35) KDM4EKMT2AHTTTDP1L3MBTL1

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
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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