SCHEMBL9526401

SCHEMBL9526401

CCCCCOc1cc(OC)ccc1-c1ccc(-c2nnn[nH]2)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.36
CYP2C9 P11712 1/20 0.34
MOGAT2 Q3SYC2 1/20 0.34
PLA2G2A P14555 2/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
HDAC3 O15379 4/20 0.33
HDAC4 P56524 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC7 Q8WUI4 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC10 Q969S8 4/20 0.33
HDAC11 Q96DB2 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
HDAC9 Q9UKV0 4/20 0.33
HDAC5 Q9UQL6 4/20 0.33
CDC7 O00311 2/20 0.33
GCGR P47871 1/20 0.33
GHSR Q92847 1/20 0.33

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
SCHEMBL9701582 0.88 GCGR (0.39) CYP2C9MOGAT2GCGRMEN1USP2
SCHEMBL9701398 0.86 PTPN1 (0.35) PTPN1CNR2MEN1KMT2A
SCHEMBL9525805 0.86 CDC7 (0.36) CYP2C9MOGAT2HDAC3HDAC4HDAC1
SCHEMBL9700644 0.81 PDE5A (0.38) GCGRMEN1USP2LMNAMAPT
SCHEMBL9701387 0.80 CYP2C9 (0.47) CYP2C9MOGAT2LMNASMN1; SMN2
SCHEMBL7644729 0.79 PDE5A (0.47) MEN1USP2LMNAMAPTKMT2A
SCHEMBL9701382 0.78 SMN1; SMN2 (0.42) PTPN1CYP2C9CYP11B1CYP11B2MEN1
SCHEMBL9525541 0.77 ALDH1A1 (0.52)
SCHEMBL9524898 0.77 PDE4A (0.37) MEN1LMNAMAPTXBP1ALOX12
SCHEMBL9248549 0.76 GAA (0.39) CYP2C9CNR1CNR2MEN1USP2

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-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP claimed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO claimed
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed