SCHEMBL8523544

SCHEMBL8523544

C=CCC(=O)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 3/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LIG1 P18858 1/20 0.39
TP53 P04637 1/20 0.39
PTPN1 P18031 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL1125330 0.82 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL27223365 0.81 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL17868849 0.78 CYP3A4 (0.40) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL3803604 0.78 KDM4E (0.48) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL5544013 0.78 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL29145621 0.78 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL30089542 0.77 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL15979732 0.77 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL28053559 0.77 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL8519581 0.77 PTPN1 (0.53) ALDH1A1HPGDCYP3A4MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109456279-A Thiazoleamino benzamide acetic ester derivative and application thereof 南华大学 2019-03-12 CN claimed
CN-109320473-A Thiazoleamino benzamide acetogenin and application thereof 南华大学 2019-02-12 CN claimed
CN-109232467-A Thiazoleamino benzoic acid derivative and application thereof 南华大学 2019-01-18 CN claimed
CN-1072662-C Cyclic amine-substituted phenylalkyl ketones and process for their preparation CIBA SC HOLDING AG (CH) 2001-10-10 CN claimed
CN-1166487-A Cyclic amine-substituted phenylalkyl ketones and process for their preparation CIBA GEIGY AG (CH) 1997-12-03 CN claimed
CN-113234062-B Pyrazinylimidazole compound, weldable protective agent, preparation method and application of pyrazinylimidazole compound and weldable protective agent 赣州市贝加尔电子材料有限公司 2022-07-08 CN disclosed
CN-113234062-A Pyrazinylimidazole compound, weldable protective agent, preparation method and application of pyrazinylimidazole compound and weldable protective agent 赣州市贝加尔电子材料有限公司 2021-08-10 CN disclosed
CN-109456279-A Thiazoleamino benzamide acetic ester derivative and application thereof 南华大学 2019-03-12 CN disclosed
CN-109320473-A Thiazoleamino benzamide acetogenin and application thereof 南华大学 2019-02-12 CN disclosed
CN-109232467-A Thiazoleamino benzoic acid derivative and application thereof 南华大学 2019-01-18 CN disclosed
CN-1168700-C Cyclic amine substd. phenylalkanone and preparing method thereof ϣ�����⻯ѧ�عɹ�˾ 2004-09-29 CN disclosed
CN-1072662-C Cyclic amine-substituted phenylalkyl ketones and process for their preparation CIBA SC HOLDING AG (CH) 2001-10-10 CN disclosed
CN-1309116-A Cyclic amine substd. phenylalkanone and preparing method thereof CIBA SC HOLDING AG (CH) 2001-08-22 CN disclosed
US-5922898-A Process for preparing biaryl compounds CATALYTICA PHARMACEUTICALS, INC. (US) 1999-07-13 US disclosed
CN-1166487-A Cyclic amine-substituted phenylalkyl ketones and process for their preparation CIBA GEIGY AG (CH) 1997-12-03 CN disclosed