SCHEMBL9533588

SCHEMBL9533588

COCCOCOc1cnc(C#N)nc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
CTNNB1 P35222 1/20 0.33
KDM4E B2RXH2 1/20 0.30
RECQL P46063 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9405597 0.75 CTNNB1 (0.33) CTNNB1KDM4ERECQL
SCHEMBL9405569 0.74 FGFR4 (0.31)
SCHEMBL21880671 0.73 NAAA (0.53) NAAAKDM4EALDH1A1LMNAHTT
SCHEMBL2185557 0.72 NAAA (0.42) NAAAKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL12384145 0.72 CTNNB1 (0.42) CTNNB1KDM4ERECQLALDH1A1
SCHEMBL25672409 0.72 NAAA (0.55) NAAAKDM4EALDH1A1LMNAHTT
SCHEMBL4750637 0.71 TBXAS1 (0.46) SMN1; SMN2
SCHEMBL4996156 0.70 PKM (0.40) CTNNB1KDM4ERECQL
SCHEMBL25319490 0.69 NAAA (0.53) NAAAALDH1A1LMNAGLAHTT
SCHEMBL3159666 0.69 CTNNB1 (0.39) CTNNB1KDM4ERECQLALDH1A1

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-0569491-A1 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1993-11-18 EP disclosed
WO-1992013536-A1 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-20 WO disclosed