SCHEMBL11144501

SCHEMBL11144501

O=C1C(O)=C(O)C(=O)c2c(Cl)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.54
▸ TDP2 O95551 1/20 0.54
▸ MAOA P21397 2/20 0.48
▸ NSD2 O96028 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ AR P10275 2/20 0.43
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ DHODH Q02127 1/20 0.41

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
SCHEMBL28604279 0.88 MAOA (0.45) APAF1TDP2MAOANSD2ALDH1A1
SCHEMBL30003398 0.85 NSD2 (0.43) MAOANSD2ALDH1A1LMNAMAPT
SCHEMBL23271809 0.85 NSD2 (0.43) MAOANSD2ALDH1A1LMNAMAPT
SCHEMBL125609 0.84 NSD2 (0.55) MAOANSD2ALDH1A1LMNAMAPT
SCHEMBL122441 0.82 NSD2 (0.62) MAOANSD2ALDH1A1LMNAMAPT
SCHEMBL11362829 0.82 MAOA (0.76) MAOAALDH1A1LMNAMAPTHPGD
SCHEMBL14207782 0.80 MAOA (0.61) MAOANSD2ALDH1A1LMNAMAPT
SCHEMBL4585020 0.80 NSD2 (0.55) MAOANSD2ALDH1A1LMNAMAPT
SCHEMBL28222780 0.80 NSD2 (0.55) MAOANSD2ALDH1A1LMNAMAPT
Anthraquinone SCHEMBL5172785 0.78 ADORA2A (0.57) MAOANSD2ALDH1A1LMNAMAPT

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-4419368-A 2,2,3,3-TETRAHYDROXY- SYNTEX (U.S.A.) INC. (US) 1983-12-06 — — US disclosed
US-4229478-A Naphthaquinone anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1980-10-21 — — US disclosed
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