SCHEMBL23901479

SCHEMBL23901479

Nc1cc(Cl)c(C(=O)N2CCO[C@H]2c2ccccc2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
SPR P35270 4/20 0.42
SCD5 Q86SK9 1/20 0.35
LMNA P02545 2/20 0.34
HSP90AA1 P07900 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
RIPK1 Q13546 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 1/20 0.33
TSHR P16473 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 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
SCHEMBL23901730 0.85 L3MBTL1 (0.49) L3MBTL1SPRHSP90AA1MAPTTP53
SCHEMBL23901474 0.79 SPR (0.48) SPRSCD5RIPK1P2RX7
SCHEMBL23901647 0.70 AVPR2 (0.42) L3MBTL1HSP90AA1P2RX7
SCHEMBL23901483 0.68 USP30 (0.45) SPRSCD5ALDH1A1P2RX7HPGD
SCHEMBL11613972 0.67 L3MBTL1 (0.51) L3MBTL1LMNAPOLBALDH1A1TSHR
SCHEMBL23901500 0.67 SPR (0.54) SPRSCD5TP53
SCHEMBL18642715 0.67 L3MBTL1 (0.51) L3MBTL1RIPK1
Zinc Ion SCHEMBL11709381 0.66 L3MBTL1 (0.50) L3MBTL1LMNAPOLBALDH1A1TSHR
SCHEMBL425716 0.66 L3MBTL1 (0.42) L3MBTL1LMNAMAPTALDH1A1NPC1
SCHEMBL20710310 0.66 RIPK1 (0.63) L3MBTL1POLBMAPTRIPK1ALDH1A1

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
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed