SCHEMBL5744699

SCHEMBL5744699

COCC(CSc1ccccc1)Nc1c([N+](=O)[O-])cccc1S(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 4/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA1 P00915 2/20 0.35
CA12 O43570 1/20 0.35
HCAR3 P49019 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
BCL2 P10415 1/20 0.35
DOT1L Q8TEK3 1/20 0.34

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
SCHEMBL2474106 0.84 BCL2L1 (0.69) BCL2L1BCL2
SCHEMBL28873438 0.84 BCL2L1 (0.69) BCL2L1BCL2
SCHEMBL2950676 0.81 BCL2L1 (0.73) BCL2L1KMT2AALDH1A1MAPTHCAR3
SCHEMBL29738145 0.78 BCL2L1 (0.58) BCL2L1KMT2AMEN1ALDH1A1BCL2
SCHEMBL6525575 0.75 KMT2A (0.47) BCL2L1KMT2AMEN1ALDH1A1MAPT
SCHEMBL31570834 0.73 BCL2L1 (0.76) BCL2L1BCL2DOT1L
SCHEMBL2949663 0.73 BCL2L1 (0.69) BCL2L1MAPTPOLBBCL2DOT1L
SCHEMBL6025521 0.71 KMT2A (0.42) BCL2L1KMT2AMEN1ALDH1A1MAPT
SCHEMBL6025517 0.70 KMT2A (0.44) BCL2L1KMT2AMEN1ALDH1A1MAPT
SCHEMBL6530524 0.70 KMT2A (0.41) BCL2L1KMT2AMEN1ALDH1A1MAPT

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-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed