SCHEMBL21363738

SCHEMBL21363738

O=C(CCCCCCCCCCSSCCCCCCCCCCC(=O)ON1C(=O)CCC1=O)NCCSC1CC(=O)N(c2ccc3ccc4cccc5ccc2c3c45)C1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
ITPR1 Q14643 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL21363351 0.79 FAAH (0.38) ALDH1A1ITPR1MAPTKDM4EMEN1
SCHEMBL21363354 0.77 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL21363549 0.74 TDP1 (0.46) PKMTDP1
SCHEMBL21363332 0.74 TDP1 (0.46) PKMTDP1
SCHEMBL21363352 0.73 POLB (0.40) ALDH1A1MAPTKDM4EPKMMEN1
SCHEMBL21363741 0.73 POLB (0.40) ALDH1A1MAPTKDM4EPKMMEN1
Aminopyrene SCHEMBL23831545 0.69 KMT2A (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3491065 0.68 KMT2A (0.54) ALDH1A1ITPR1KDM4EMEN1KMT2A
SCHEMBL19328246 0.67 KMT2A (0.55) ALDH1A1ITPR1MAPTKDM4EMEN1
SCHEMBL19611483 0.67 SMN1; SMN2 (0.37) ALDH1A1KMT2AGAAHTTSMN1; SMN2

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-20190285576-A1 SEMICONDUCTOR SENSOR, METHOD FOR PRODUCING THE SAME, AND COMBINED SENSOR TORAY INDUSTRIES, INC. (JP) 2019-09-19 US disclosed