SCHEMBL28843017

SCHEMBL28843017

O=C(O)NCC(=O)NCCNC(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CA3 P07451 2/20 0.52
CA5A P35218 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
CA14 Q9ULX7 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
EPHX1 P07099 1/20 0.44
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
MTNR1A P48039 2/20 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
SCHEMBL11895560 0.85 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13861685 0.80 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16057166 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16002749 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16268268 0.76 POLB (0.33) POLB
SCHEMBL23568271 0.75 CA14 (0.49) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL15034385 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL20637974 0.75 MEN1 (0.83) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL11799968 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL23569502 0.75 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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-114929754-A Novel cross-linked alginic acid 持田制药株式会社 2022-08-19 CN disclosed