SCHEMBL29139350

SCHEMBL29139350

O=C(O)C(CC(SSc1ccccn1)C1CCC1)N1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 5/20 0.37
POLB P06746 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
RAB9A P51151 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
BLM P54132 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CRBN Q96SW2 2/20 0.32
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DDB1 Q16531 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
SCHEMBL29120327 0.96 ALDH1A1 (0.43) ALDH1A1PKMKMT2APOLBRAB9A
SCHEMBL745826 0.82 ALDH1A1 (0.46) ALDH1A1PKMKMT2APOLBRAB9A
Hydrogen Sulfide SCHEMBL17534845 0.81 ALDH1A1 (0.45) ALDH1A1PKMKMT2APOLBRAB9A
SCHEMBL29139343 0.80 ALDH1A1 (0.37) ALDH1A1PKMKMT2APOLBHDAC1
SCHEMBL23235914 0.78 ALDH1A1 (0.37) ALDH1A1KMT2APOLBHDAC1HDAC2
SCHEMBL44725 0.77 ALDH1A1 (0.50) ALDH1A1PKMKMT2APOLBHDAC1
SCHEMBL23859811 0.76 ALDH1A1 (0.36) ALDH1A1KMT2APOLBHDAC1HDAC2
SCHEMBL23235910 0.76 ALDH1A1 (0.47) ALDH1A1KMT2APOLBHDAC1HDAC2
SCHEMBL616908 0.75 ALDH1A1 (0.54) ALDH1A1PKMKMT2APOLBRAB9A
SCHEMBL10340551 0.75 ALDH1A1 (0.43) ALDH1A1PKMKMT2APOLBHDAC1

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
CN-117412741-A Maytansine-antibody conjugates and methods of use thereof 安吉克公司 2024-01-16 CN claimed
CN-117412741-A Maytansine-antibody conjugates and methods of use thereof 安吉克公司 2024-01-16 CN disclosed