SCHEMBL11754243

SCHEMBL11754243

CCc1c(O)ccc2cc(Br)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 7/20 0.57
PKM P14618 2/20 0.57
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
ERN1 O75460 1/20 0.53
SIRT1 Q96EB6 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.48
RXFP1 Q9HBX9 3/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 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
SCHEMBL12437312 0.85 MEN1 (0.60) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3497695 0.83 MAPT (0.61) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4026746 0.82 MEN1 (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12530686 0.81 KMT2A (0.64) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL15789381 0.81 ESR1 (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL18029878 0.80 KMT2A (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4026473 0.80 KMT2A (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7562636 0.80 KDM4E (0.61) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4025325 0.80 KMT2A (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12530594 0.79 KMT2A (0.55) MAPTMEN1KMT2AKDM4EALDH1A1

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-4061642-A AZO DYE INTERMEDIATES CASSELLA FARBWERKE MAINKUR AG (DT) 1977-12-06 US disclosed
US-3980659-A INSECTICIDES, INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed
US-3956294-A AZO DYES, PESTICIDES, ANALEPTICS, ANALGESICS, DIURETICS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed
US-3954782-A 2,6-Hydrazino-3-pyridine carboxyamides CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed
US-3947463-A Certain 2-amino-nicotinonitrile derivatives CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-30 US disclosed
US-3946024-A INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-23 US disclosed