SCHEMBL19207748

SCHEMBL19207748

CN1C(=O)C(NC(=O)O)C=Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 1/20 0.40
CCKBR P32239 6/20 0.39
P2RX4 Q99571 3/20 0.39
P2RX1 P51575 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX7 Q99572 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
RIPK1 Q13546 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL8903935 0.85 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL22494002 0.82 MTNR1A (0.41) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL19224503 0.82 NFKB1 (0.51) KMT2AL3MBTL1CCKBR
SCHEMBL19207684 0.82 NFKB1 (0.51) KMT2AL3MBTL1CCKBR
SCHEMBL9041574 0.80 CCKBR (0.54) CCKBR
SCHEMBL3601522 0.72 MEN1 (0.36) MEN1KMT2ALMNAMAPT
SCHEMBL28702219 0.70 MEN1 (0.42) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL15956793 0.67 RIPK1 (0.57) EGFRCCKBRRIPK1
SCHEMBL4276864 0.66 MEN1 (0.49) MEN1KMT2ASMN1; SMN2LMNAP2RX4
Iodide SCHEMBL28443511 0.65 MEN1 (0.48) MEN1KMT2ASMN1; SMN2LMNAP2RX4

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
EP-3414239-A2 INHIBITORS OF RECEPTOR-INTERACTING PROTEIN KINASE 1 Denali Therapeutics Inc. (US) 2018-12-19 EP disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed