SCHEMBL5234941

SCHEMBL5234941

CCOC(=O)c1cccnc1N(C(C)CCC(=O)O)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ELANE P08246 1/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.37
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 2/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL5234273 0.92 LMNA (0.41) LMNAPOLBALDH1A1TP53MAPT
SCHEMBL8694588 0.89 LMNA (0.40) LMNAPOLBALDH1A1TP53MAPT
SCHEMBL344172 0.74 TP53 (0.44) LMNAPOLBALDH1A1TP53MAPT
SCHEMBL10866338 0.69 TSHR (0.56) ALDH1A1TP53MAPTHTTELANE
SCHEMBL344259 0.67 LMNA (0.66) LMNAPOLBALDH1A1TP53MAPT
SCHEMBL24330408 0.67 ALDH1A1 (0.45) LMNAALDH1A1MAPTHTTTSHR
SCHEMBL109206 0.66 TSHR (0.63) ALDH1A1TP53HTTELANETSHR
SCHEMBL29571304 0.66 TSHR (0.63) ALDH1A1TP53HTTELANETSHR
SCHEMBL7348096 0.65 TSHR (0.58) ALDH1A1TP53HTTELANETSHR
SCHEMBL6477382 0.64 KMT2A (0.54) LMNAPOLBALDH1A1MAPTHTT

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-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 EP disclosed