SCHEMBL8787802

SCHEMBL8787802

O=c1cc(-c2c[nH]c3ccccc23)oc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.57
▸ NPC1 O15118 5/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ AKR1C3 P42330 1/20 0.57
▸ AKR1C2 P52895 1/20 0.57
▸ AKR1C1 Q04828 1/20 0.57
▸ CYP1B1 Q16678 2/20 0.56
▸ CYP1A1 P04798 1/20 0.56
▸ MAOB P27338 2/20 0.56
▸ TNKS O95271 6/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ TP53 P04637 3/20 0.55
▸ PARP1 P09874 3/20 0.55
▸ TNKS2 Q9H2K2 3/20 0.55
▸ GABRP O00591 2/20 0.55
▸ GABRD O14764 2/20 0.55
▸ GABRA1 P14867 2/20 0.55
▸ GABRB1 P18505 2/20 0.55
▸ GABRG2 P18507 2/20 0.55

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
SCHEMBL5092646 0.91 HPGD (0.55) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL8787790 0.82 MAOB (0.50) SMN1; SMN2CYP1B1CYP1A1MAOBCYP3A4
SCHEMBL28124980 0.77 MAOB (0.61) SMN1; SMN2MAOBCA12CA1CA9
SCHEMBL1423180 0.76 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL4634256 0.74 HPGD (0.73) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL25186939 0.73 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL3205778 0.73 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL2436664 0.73 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL87773 0.73 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL8025501 0.73 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3

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-5698575-A Chromone compounds, pharmaceutical compositions containing the same, and use of the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1997-12-16 — — US disclosed
EP-0758649-A1 Chromone derivative, process for preparing same and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1997-02-19 — — EP disclosed
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