SCHEMBL8733301

SCHEMBL8733301

CC(Br)c1ccc2c(c1)C(=O)N(C)C2=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ APP P05067 7/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ HPGD P15428 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NR1H3 Q13133 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.41
▸ POLB P06746 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TSHR P16473 1/20 0.36

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
SCHEMBL2835024 0.85 NR1H3 (0.58) ALDH1A1APPHSD17B10MEN1MAPT
SCHEMBL31085010 0.81 ALDH1A1 (0.49) ALDH1A1APPHSD17B10MEN1MAPT
SCHEMBL17368742 0.79 ALDH1A1 (0.50) ALDH1A1APPHSD17B10MEN1MAPT
SCHEMBL12552556 0.79 ALDH1A1 (0.50) ALDH1A1APPHSD17B10MEN1MAPT
SCHEMBL9151953 0.76 PPOX (0.47) ALDH1A1HSD17B10MEN1KMT2ACASP3
SCHEMBL2399978 0.73 ELANE (0.53) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL1783796 0.72 APP (0.66) ALDH1A1APPHSD17B10MEN1MAPT
SCHEMBL10053401 0.71 ALDH1A1 (0.59) ALDH1A1APPHSD17B10MEN1MAPT
SCHEMBL2616778 0.70 APP (0.67) ALDH1A1APPHSD17B10MEN1MAPT
SCHEMBL23060308 0.69 ALDH1A1 (0.47) ALDH1A1APPHSD17B10MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639603-B1 Polyphenylene ether with reactive end groups and thermoplastic composition containing them ENICHEM SPA (IT) 1998-09-30 — — EP claimed
EP-0639603-A1 Polyphenylene ether with reactive end groups and thermoplastic composition containing them ENICHEM S.p.A. (IT) 1995-02-22 — — EP claimed
EP-0639603-B1 Polyphenylene ether with reactive end groups and thermoplastic composition containing them ENICHEM SPA (IT) 1998-09-30 — — EP disclosed
EP-0639603-A1 Polyphenylene ether with reactive end groups and thermoplastic composition containing them ENICHEM S.p.A. (IT) 1995-02-22 — — EP disclosed
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