SCHEMBL8801925

SCHEMBL8801925

CNc1c(N)cc(CCO)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ MAPK1 P28482 7/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ ADORA2A P29274 4/20 0.40
▸ CSNK1A1 P48729 2/20 0.40
▸ CSNK1D P48730 2/20 0.40
▸ CSNK1G1 Q9HCP0 2/20 0.40
▸ MAOA P21397 2/20 0.40
▸ FGR P09769 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ HIPK2 Q9H2X6 1/20 0.40
▸ GNG2 P59768 1/20 0.39
▸ GNB1 P62873 1/20 0.39
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ L3MBTL1 Q9Y468 5/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38

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
SCHEMBL6368410 0.85 TDP1 (0.41) MAPTMAPK1SMN1; SMN2KDM4EMMP14
Hydrochloric Acid SCHEMBL8620365 0.84 TDP1 (0.40) MAPTMAPK1SMN1; SMN2KDM4EMMP14
SCHEMBL8719818 0.81 GNG2 (0.47) MAPTMAPK1SMN1; SMN2KDM4EGNG2
SCHEMBL30118083 0.76 MEN1 (0.55) MAPTMAPK1SMN1; SMN2KDM4EADORA2A
SCHEMBL3477831 0.76 MEN1 (0.55) MAPTMAPK1SMN1; SMN2KDM4EADORA2A
SCHEMBL11803584 0.74 MAPK1 (0.42) MAPTMAPK1SMN1; SMN2KDM4EMMP14
SCHEMBL2313177 0.74 MEN1 (0.48) MAPTMAPK1SMN1; SMN2KDM4EMMP14
SCHEMBL27481783 0.73 SMN1; SMN2 (0.43) MAPTMAPK1SMN1; SMN2KDM4EMMP14
SCHEMBL27662126 0.73 P2RY2 (0.45) MAPTMAPK1SMN1; SMN2KDM4EMMP14
Anthraquinone SCHEMBL27739419 0.73 MAPK1 (0.44) MAPTMAPK1SMN1; SMN2KDM4EMMP14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460879-B1 Hair colorants BRISTOL MYERS SQUIBB CO (US) 1997-05-07 — — EP claimed
US-5112359-A Diaminoanthraquinone dyes for hair dyes with carriers and water CLAIROL, INC. (US) 1992-05-12 — — US claimed
EP-0460879-A1 Hair colorants Bristol-Myers Squibb Company (US) 1991-12-11 — — EP claimed
EP-0460879-B1 Hair colorants BRISTOL MYERS SQUIBB CO (US) 1997-05-07 — — EP disclosed
US-5112359-A Diaminoanthraquinone dyes for hair dyes with carriers and water CLAIROL, INC. (US) 1992-05-12 — — US disclosed
EP-0460879-A1 Hair colorants Bristol-Myers Squibb Company (US) 1991-12-11 — — EP disclosed
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