SCHEMBL28836296

SCHEMBL28836296

O=C(NC(CO)C(=O)O)OCC(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.47
MME P08473 6/20 0.41
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CA2 P00918 4/20 0.33
CA1 P00915 3/20 0.33
ATM Q13315 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
SCHEMBL10460580 1.00 TGFBR1 (0.47) TGFBR1MMEMEN1KMT2AALDH1A1
SCHEMBL8903031 0.86 MME (0.47) TGFBR1MMEMEN1KMT2A
SCHEMBL28387426 0.84 MME (0.36) TGFBR1MMEMEN1KMT2AALDH1A1
SCHEMBL28387424 0.84 MME (0.36) TGFBR1MMEMEN1KMT2AALDH1A1
SCHEMBL12120045 0.84 KDM4E (0.47) TGFBR1MEN1KMT2AALDH1A1POLB
SCHEMBL18495331 0.82 TGFBR1 (0.49) TGFBR1MMEKMT2ACA2CA1
SCHEMBL28836292 0.81 ECE1 (0.41) TGFBR1MMEMEN1KMT2AALDH1A1
SCHEMBL28836241 0.81 ALDH1A1 (0.51) MMEMEN1KMT2AALDH1A1
SCHEMBL16867534 0.81 FOLH1 (0.53)
SCHEMBL28836240 0.81 ALDH1A1 (0.51) MMEMEN1KMT2AALDH1A1

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
CN-115053184-A Composition for forming EUV resist underlayer film 日产化学株式会社 2022-09-13 CN disclosed