SCHEMBL9447016

SCHEMBL9447016

Nc1ccc(Oc2cccc3cccnc23)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
MAPT P10636 11/20 0.50
KDM4E B2RXH2 9/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HTT P42858 5/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 3/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LMNA P02545 5/20 0.44
HPGD P15428 4/20 0.44

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
SCHEMBL4797458 0.79 ADORA2A (0.43) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL4386263 0.79 KDM4E (0.72) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL3484352 0.79 SCN9A (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9446981 0.78 KDM4E (0.54) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL9447037 0.78 KMT2A (1.00) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL9447019 0.77 KDM4E (0.57) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL631806 0.77 ALDH1A1 (0.52) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL3484572 0.76 ESRRA (0.56) ALDH1A1GAAMAPK1HPGDTSHR
SCHEMBL1964539 0.76 CYP3A4 (0.56) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9446986 0.75 KDM4E (0.63) MEN1KMT2AMAPTKDM4ERAB9A

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 6 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-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed