SCHEMBL9308818

SCHEMBL9308818

Cc1ccc2c(-c3ccccc3C#N)oc(C(C)(C)C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
ESR2 Q92731 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
AR P10275 1/20 0.32
CYP1A2 P05177 4/20 0.31
CYP3A4 P08684 4/20 0.31
HSD17B10 Q99714 3/20 0.31
CYP2C9 P11712 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL9312060 0.88 AR (0.39) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL9309638 0.84 PTGES (0.36) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL9311398 0.84 PTGES (0.32) KDM4EALDH1A1HPGDTSHRESR2
SCHEMBL9308252 0.83 TSHR (0.37) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL9309961 0.79 AR (0.34) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL9308810 0.78 KDM4E (0.38) KDM4EALDH1A1HPGDTSHRGABRA1
SCHEMBL9309635 0.77 CSNK2A2 (0.40) KDM4EALDH1A1HPGDTSHRMEN1
SCHEMBL9308247 0.74 KCNH2 (0.46) KDM4EALDH1A1HPGDTSHRMEN1
SCHEMBL9312055 0.72 AR (0.38) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8550394 0.71 TSHR (0.36) KDM4EALDH1A1HPGDGAATSHR

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-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed