SCHEMBL28231527

SCHEMBL28231527

CCCCOC(=O)c1ccc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MAPT P10636 6/20 0.57
▸ ALDH1A1 P00352 6/20 0.57
▸ L3MBTL1 Q9Y468 4/20 0.55
▸ TSHR P16473 3/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ HPGD P15428 2/20 0.51
▸ MGAM O43451 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL5935781 0.94 ALDH1A1 (0.57) KDM4ESMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL24415719 0.91 KDM4E (0.61) KDM4ESMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL6049004 0.86 ALDH1A1 (0.49) KDM4ESMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL30253505 0.84 KDM4E (0.64) KDM4ESMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL431290 0.84 KDM4E (0.64) KDM4ESMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL31361527 0.83 KDM4E (0.56) KDM4ESMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL14793758 0.82 ESR1 (0.52) KDM4ESMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL27673741 0.81 KDM4E (0.57) KDM4ESMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL3885590 0.81 CYP1A2 (0.68) KDM4ESMN1; SMN2MAPTALDH1A1L3MBTL1
Tetrabuthylammonium SCHEMBL29003491 0.81 L3MBTL1 (0.44) KDM4ESMN1; SMN2MAPTALDH1A1L3MBTL1

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
CN-113880063-B Aluminum removal method for phosphorus iron slag after lithium extraction of waste lithium iron phosphate and preparation method for battery grade iron phosphate 广东光华科技股份有限公司 2023-05-02 — — CN claimed
CN-113880063-A Aluminum removing method for ferrophosphorus slag after lithium extraction of waste lithium iron phosphate and preparation method of battery-grade ferric phosphate 广东光华科技股份有限公司 2022-01-04 — — CN claimed
CN-108314647-A A kind of preparation method of quinoline -2- formic acid and quinoline -2- formic acid derivates 华中科技大学 2018-07-24 — — CN claimed
CN-113880063-B Aluminum removal method for phosphorus iron slag after lithium extraction of waste lithium iron phosphate and preparation method for battery grade iron phosphate 广东光华科技股份有限公司 2023-05-02 — — CN disclosed
CN-113880063-A Aluminum removing method for ferrophosphorus slag after lithium extraction of waste lithium iron phosphate and preparation method of battery-grade ferric phosphate 广东光华科技股份有限公司 2022-01-04 — — CN disclosed
CN-108314647-A A kind of preparation method of quinoline -2- formic acid and quinoline -2- formic acid derivates 华中科技大学 2018-07-24 — — CN disclosed
Send feedback