SCHEMBL9308810

SCHEMBL9308810

Cc1ccc2oc(-c3ccccc3C#N)c(C(C)(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
MAPT P10636 4/20 0.38
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.34
NT5E P21589 1/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL9312055 0.89 AR (0.38) KDM4EMAPTKCNH2ALDH1A1HPGD
SCHEMBL9308247 0.84 KCNH2 (0.46) KDM4EMAPTKCNH2ALDH1A1HPGD
SCHEMBL9859487 0.83 ALDH1A1 (0.32) KDM4EALDH1A1HPGDKMT2ACYP3A4
SCHEMBL9309635 0.82 CSNK2A2 (0.40) KDM4EMAPTKCNH2ALDH1A1HPGD
SCHEMBL9309957 0.80 MAPT (0.41) KDM4EMAPTKCNH2ALDH1A1HPGD
SCHEMBL9308818 0.78 KDM4E (0.34) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL9308252 0.74 TSHR (0.37) KDM4EMAPTKCNH2ALDH1A1HPGD
SCHEMBL9309638 0.72 PTGES (0.36) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL9312060 0.72 AR (0.39) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL9309961 0.70 AR (0.34) KDM4EALDH1A1HPGDMEN1KMT2A

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 3 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
CN-1052672-A Benzofuran derivative GLAXO GROUP LTD (GB) 1991-07-03 CN disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed