SCHEMBL8951872

SCHEMBL8951872

N=NN(c1cc[c]cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.31
EIF4H Q15056 1/20 0.31

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
SCHEMBL8829009 0.86 ALDH1A1 (0.55) ALDH1A1ALOX15MAPK1MEN1KMT2A
SCHEMBL128447 0.74 ALDH1A1 (0.50) ALDH1A1ALOX15MEN1KMT2APOLB
SCHEMBL6152609 0.72 ALDH1A1 (0.54) ALDH1A1ALOX15MAPK1MEN1KMT2A
SCHEMBL2197231 0.72 ALDH1A1 (0.54) ALDH1A1ALOX15MAPK1MEN1KMT2A
SCHEMBL3373651 0.70 ALDH1A1 (0.36) ALDH1A1ALOX15MEN1KMT2A
SCHEMBL11077035 0.70 ALDH1A1 (0.32) ALDH1A1ALOX15MEN1KMT2APOLB
SCHEMBL5148350 0.70 ALDH1A1 (0.32) ALDH1A1ALOX15MEN1KMT2A
SCHEMBL693898 0.70 CHKA (0.42) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL29290257 0.67 ALDH1A1 (0.43) ALDH1A1ALOX15MEN1KMT2A
SCHEMBL5250482 0.66 ALDH1A1 (0.42) ALDH1A1ALOX15MAPK1MEN1KMT2A

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
US-5514782-A Phenyl-azo-aminophenyl compounds substituted by an aminosubstituted fluoro-triazinylamino group and a fibre-reactive group of the vinylsulfone series HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-07 US disclosed