SCHEMBL30488795

SCHEMBL30488795

COC(=O)c1cc(Cl)ccc1Oc1ccc(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ABL1 P00519 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
S1PR4 O95977 1/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.40
PABPC1 P11940 1/20 0.40
GRM8 O00222 1/20 0.40
GRM7 Q14831 1/20 0.40
GRM4 Q14833 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL25256743 1.00 MEN1 (0.49) MEN1KMT2AHSD17B10L3MBTL1ABL1
SCHEMBL5365741 0.90 ABL1 (0.50) MEN1KMT2AL3MBTL1ABL1SMN1; SMN2
SCHEMBL5357758 0.85 ABL1 (0.49) MEN1KMT2AHSD17B10ABL1SMN1; SMN2
SCHEMBL5367633 0.85 P2RX3 (0.48) MEN1KMT2AL3MBTL1ABL1SMN1; SMN2
SCHEMBL15880384 0.82 KMT2A (0.60) MEN1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL31697202 0.81 MAPK10 (0.46) L3MBTL1ABL1LMNAMAPTTDP1
SCHEMBL5373256 0.81 PABPC1 (0.57) MEN1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL22208638 0.81 MAPK10 (0.46) L3MBTL1ABL1LMNAMAPTTDP1
SCHEMBL25250610 0.78 ABL1 (0.37) MEN1KMT2AABL1SMN1; SMN2S1PR4
SCHEMBL5363242 0.77 GAA (0.51) MEN1KMT2AL3MBTL1SMN1; SMN2USP2

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
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed