SCHEMBL9447167

SCHEMBL9447167

CCCCS(=O)(=O)Nc1cccc(COc2cccc3cccnc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
GLO1 Q04760 3/20 0.47
NPC1 O15118 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.44
ROCK1 Q13464 1/20 0.44
LMNA P02545 3/20 0.42
TRPV1 Q8NER1 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL9446968 0.91 GLO1 (0.48) GLO1NPC1MEN1KMT2ARAB9A
SCHEMBL9446951 0.85 MAPT (0.46) ARGLO1NPC1MEN1KMT2A
SCHEMBL9446955 0.80 GLO1 (0.54) GLO1NPC1MEN1KMT2ARAB9A
SCHEMBL9447116 0.80 AR (0.52) ARGLO1KDM4EMAPTALDH1A1
SCHEMBL9446966 0.78 GLRA3 (0.60) ARGLO1NPC1MEN1KMT2A
SCHEMBL10543970 0.77 NPC1 (0.57) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL9446961 0.77 MAPT (0.57) ARGLO1NPC1MEN1KMT2A
SCHEMBL9447062 0.76 GLO1 (0.57) GLO1MEN1KMT2AKDM4EALDH1A1
SCHEMBL9447040 0.75 FABP1 (0.46) GLO1NPC1MEN1KMT2ARAB9A
SCHEMBL6860415 0.75 GLO1 (0.70) GLO1MEN1KMT2AMAPTALDH1A1

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
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed