SCHEMBL15526327

SCHEMBL15526327

[N-]=[N+]=NCCc1cc(Br)ccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ SREBF2 Q12772 1/20 0.31
▸ PLAU P00749 2/20 0.30
▸ PLG P00747 1/20 0.30
▸ PLAT P00750 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL27592196 0.84 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2
SCHEMBL27939066 0.74 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2CCNCCDK8
SCHEMBL14270262 0.73 HRH1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL15526283 0.72 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2CCNCCDK8
SCHEMBL13097030 0.72 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2CCNCCDK8
SCHEMBL15526376 0.72 HRH1 (0.50) KDM4EALDH1A1SMN1; SMN2CCNCCDK8
SCHEMBL539420 0.72 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2SREBF2LMNA
SCHEMBL13097029 0.69 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2CCNCCDK8
SCHEMBL2170011 0.69 HRH1 (0.46) KDM4EALDH1A1SMN1; SMN2CCNCCDK8
SCHEMBL10264193 0.69 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2SREBF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788336-A1 BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION Gilead Sciences, Inc. (US) 2014-10-15 — — EP disclosed
WO-2013159064-A1 BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-10-24 — — WO disclosed
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