SCHEMBL8787765

SCHEMBL8787765

O=c1cc(-c2cccc3[nH]nnc23)sc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.48
▸ MAPK3 P27361 1/20 0.48
▸ MAP2K1 Q02750 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PRKDC P78527 3/20 0.36
▸ CYP1A1 P04798 2/20 0.34
▸ CYP1B1 Q16678 2/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL29013347 0.84 APP (0.42) PRKDCPIK3CDPIK3CABRD4
SCHEMBL8786821 0.73 MAOB (0.42) ALDH1A1MAPTHPGDTP53CYP1A2
SCHEMBL8788268 0.72 MAPK1 (0.48) MAPK1MAPK3MAP2K1ALDH1A1MAPT
SCHEMBL8786795 0.72 HPGD (0.53) MAPK1MAPK3MAP2K1ALDH1A1MAPT
SCHEMBL8788097 0.71 ALDH1A1 (0.47) MAPK1MAPK3MAP2K1ALDH1A1MAPT
SCHEMBL30556736 0.70 METAP2 (0.38) MAPK1MAP2K1ALDH1A1MAPTNPC1
SCHEMBL31619990 0.70 METAP2 (0.38) MAPK1MAP2K1ALDH1A1MAPTNPC1
SCHEMBL15987667 0.69 — —
SCHEMBL1374464 0.69 ALDH1A1 (0.69) MAPK1MAPK3MAP2K1ALDH1A1MAPT
SCHEMBL17145024 0.68 BCHE (0.41) MAPK1ALDH1A1MAPTHPGDALOX15

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
Send feedback