SCHEMBL18801534

SCHEMBL18801534

Nc1c(N)c(N)c(C=O)c(N)c1N

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL25397976 0.88 MEN1 (0.32) MEN1ALDH1A1KMT2ATDP1
SCHEMBL28380777 0.80 MEN1 (0.32) MEN1ALDH1A1KMT2ATDP1
SCHEMBL11183863 0.69 MEN1 (0.39) MEN1ALDH1A1KMT2ATDP1
SCHEMBL3065462 0.67
SCHEMBL11505405 0.67
SCHEMBL28874627 0.65 MEN1 (0.39) MEN1ALDH1A1KMT2ATDP1
SCHEMBL1246293 0.62 MEN1 (0.30) MEN1KMT2A
SCHEMBL3027694 0.60 TDP1 (0.33) MEN1ALDH1A1KMT2ATDP1
SCHEMBL6899284 0.60 ALDH1A1 (0.48) MEN1ALDH1A1KMT2ATDP1
Hydrochloric Acid SCHEMBL28745201 0.57

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-2536791-B1 MIXTURES OF FIBRE-REACTIVE DYES AND THEIR USE IN A METHOD FOR DI- OR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-05-03 EP disclosed