SCHEMBL8952545

SCHEMBL8952545

CN1CN(CCCCCCBr)c2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.33
▸ MAPK10 P53779 1/20 0.32
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL5085666 0.87 MAPK10 (0.44) MAPK10MEN1KMT2AALDH1A1XBP1
SCHEMBL8952508 0.86 KDM4E (0.36) EPHX2MAPK10MEN1KMT2AALDH1A1
SCHEMBL8952586 0.86 KDM4E (0.36) EPHX2MAPK10MEN1KMT2AALDH1A1
SCHEMBL8952620 0.86 KDM4E (0.36) EPHX2MAPK10MEN1KMT2AALDH1A1
SCHEMBL8952638 0.86 KDM4E (0.36) EPHX2MAPK10MEN1KMT2AALDH1A1
SCHEMBL8952591 0.86 KDM4E (0.36) EPHX2MAPK10MEN1KMT2AALDH1A1
SCHEMBL6944697 0.84 MAPT (0.37) EPHX2MAPK10MEN1KMT2AALDH1A1
SCHEMBL9229524 0.84 MAPK10 (0.33) EPHX2MAPK10MEN1KMT2AMAPK1
SCHEMBL9116975 0.83 PAOX (0.36) EPHX2MAPK10MEN1KMT2AMAPK1
SCHEMBL8952345 0.83 HSD17B10 (0.34) EPHX2MAPK10MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714302-A4 THERAPEUTIC COMPOUNDS CELL THERAPEUTICS INC (US) 1996-10-09 — — EP disclosed
EP-0714302-A1 THERAPEUTIC COMPOUNDS CELL THERAPEUTICS, INC. (US) 1996-06-05 — — EP disclosed
WO-1994022449-A1 THERAPEUTIC COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-10-13 — — WO disclosed
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