SCHEMBL8496920

SCHEMBL8496920

CCOC(=O)c1c(Cl)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1.C[PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ SHMT2 P34897 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SLC10A2 Q12908 1/20 0.39

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
SCHEMBL8494227 0.92 SLC10A2 (0.47) GAAPOLBMAPTKDM4ESMN1; SMN2
SCHEMBL8492293 0.89 SLC10A2 (0.45) GAAMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL8132154 0.82 SLC10A2 (0.55) GAAPOLBMAPTSMN1; SMN2LMNA
SCHEMBL8132011 0.79 MAPT (0.60) GAAPOLBMAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8496923 0.78 GAA (0.49) GAAPOLBMAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL9563403 0.77 MAPT (0.48) GAAPOLBMAPTKDM4ESMN1; SMN2
Diethylamine SCHEMBL8886505 0.76 GAA (0.63) GAAPOLBMAPTKDM4ESMN1; SMN2
SCHEMBL8886500 0.75 GAA (0.52) GAAPOLBMAPTKDM4ESMN1; SMN2
SCHEMBL14916920 0.74 FABP4 (0.62) GAAMAPTKDM4ESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8133597 0.74 MAPT (0.45) GAAPOLBMAPTKDM4ESMN1; SMN2

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-5948782-A ANTIINFLAMMATORY AGENT; RHEUMATIC DISEASES TAKEDA CHEMICAL (JP) 1999-09-07 — — US disclosed
US-5852039-A Pharmaceutical composition containing quinoline or quinazoline derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-22 — — US disclosed
US-5719157-A OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-17 — — US disclosed
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