SCHEMBL8961322

SCHEMBL8961322

N#CNC(=O)c1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC6 Q9UBN7 3/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC3 O15379 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
IDO1 P14902 1/20 0.32
ALOX15 P16050 1/20 0.32
CA9 Q16790 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11038788 0.86 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL262369 0.80 ALOX15 (0.54) ALDH1A1MEN1KMT2ANPC1RAB9A
Bromide SCHEMBL28425573 0.78 ALOX15 (0.52) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL17099926 0.78 ALOX15 (0.52) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL17099951 0.77 MEN1 (0.50) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2479115 0.77 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL4628703 0.77 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3284888 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC6HDAC1CA1
SCHEMBL20524425 0.77 OGG1 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL8636889 0.77 LMNA (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694053-A1 WATER-SOLUBLE FIBER-REACTIVE DYES, PROCESS FOR PRODUCING THE SAME AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-31 EP disclosed
WO-1994024214-A1 WATER-SOLUBLE FIBER-REACTIVE DYES, PROCESS FOR PRODUCING THE SAME AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-27 WO disclosed