SCHEMBL10871998

SCHEMBL10871998

Cn1c2ccc(N)cc2c2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
HBB P68871 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BRPF1 P55201 2/20 0.41
PRKCI P41743 1/20 0.40
ALOX15 P16050 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1921514 0.88 MAPT (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL29433546 0.88 KDM4E (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL351390 0.88 KDM4E (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9979912 0.84 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL28032383 0.81 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10868447 0.80 MAPT (0.68) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10869247 0.79 SIGMAR1 (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1923381 0.78 GPR3 (0.64) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL20384886 0.78 ACHE (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL728256 0.78 MEN1 (0.66) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184711-A2 Dioxazine pigments BAYER AG (DE) 1986-06-18 EP disclosed