SCHEMBL24208239

SCHEMBL24208239

c1ccc(/N=N/C2CCCCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
SLC18A3 Q16572 1/20 0.36
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL22651703 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15MAPTMEN1KMT2A
SCHEMBL10455960 0.89 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL13909077 0.79 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL723225 0.77 ALDH1A1 (0.39) ALDH1A1ALOX15MAPTKMT2ASLC18A3
SCHEMBL3146112 0.75 ALDH1A1 (0.39) ALDH1A1ALOX15MEN1KMT2ASLC18A3
SCHEMBL8538175 0.74 NQO2 (0.37) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL3363930 0.74 TOP2A (0.39) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL3363928 0.74 TOP2A (0.39) ALDH1A1MAPTMEN1KMT2ARAB9A
Nitrosobenzene SCHEMBL7635229 0.71 ALDH1A1 (0.39) ALDH1A1ALOX15MAPTMEN1KMT2A
SCHEMBL21442187 0.70 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2ARAB9A

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-20220021823-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MED SYST INC (US) 2022-01-20 US disclosed