SCHEMBL6963405

SCHEMBL6963405

[CH2]OC(=O)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46
MIF P14174 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6467406 0.82 KMT2A (0.49) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL5484453 0.82 KMT2A (0.49) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL248363 0.80 KMT2A (0.51) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL10436464 0.78 MIF (0.50) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL29433258 0.78 TSHR (0.61) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL23659 0.78 TSHR (0.61) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL8923280 0.78 CASP3 (0.49) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL25167793 0.77 KMT2A (0.49) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL5956543 0.76 ALDH1A1 (0.64) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL10368435 0.76 LMNA (0.63) KMT2AMAPTALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0070622-B1 DERIVATIVES OF M.139,603 USEFUL AS GROWTH PROMOTORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-14 EP claimed
EP-0070622-A1 Derivatives of M.139,603 useful as growth promotors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-01-26 EP claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-0316163-B1 TETRONASIN OR DERIVATIVES THEREOF FOR VETERINARY TREATMENT PITMAN-MOORE LIMITED (GB) 1993-03-31 EP disclosed
US-4999374-A Treatment of swine dysentery, antibiotic tetronasin COOPER ANIMAL HEALTH LIMITED (GB) 1991-03-12 US disclosed
EP-0316163-A2 Tetronasin or derivatives thereof for veterinary treatment PITMAN-MOORE LIMITED (GB) 1989-05-17 EP disclosed
EP-0070622-B1 DERIVATIVES OF M.139,603 USEFUL AS GROWTH PROMOTORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-14 EP disclosed
US-4443471-A Derivatives of M.139,603 useful as growth promoters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-04-17 US disclosed
EP-0070622-A1 Derivatives of M.139,603 useful as growth promotors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-01-26 EP disclosed