SCHEMBL11711366

SCHEMBL11711366

CCN(CC)C(=O)c1ccc(N2CCN(C)CC2)c(S(=O)(=O)N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
OPRD1 P41143 3/20 0.44
OPRK1 P41145 2/20 0.44
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
HSP90AA1 P07900 3/20 0.41

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
SCHEMBL11709711 0.86 KMT2A (0.45) LMNAMAPTNPSR1OPRD1OPRK1
SCHEMBL11710337 0.84 ERAP1 (0.54) LMNAMAPTNPSR1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11717209 0.83 ERAP1 (0.53) LMNAMAPTNPSR1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11709347 0.82 ALDH1A1 (0.47) LMNAMAPTNPSR1ALDH1A1KMT2A
SCHEMBL11714398 0.82 POLB (0.55) LMNAMAPTNPSR1ALDH1A1KMT2A
SCHEMBL11711546 0.81 ALDH1A1 (0.51) LMNAMAPTNPSR1ALDH1A1KMT2A
SCHEMBL11710194 0.81 WDR5 (0.49) LMNAMAPTNPSR1ALDH1A1KMT2A
SCHEMBL11719180 0.79 MAPT (0.45) LMNAMAPTNPSR1CYP1A2CYP3A4
SCHEMBL11711020 0.79 LMNA (0.58) LMNAMAPTNPSR1ALDH1A1KMT2A
SCHEMBL11718086 0.78 CNR2 (0.49) LMNAMAPTNPSR1ALDH1A1KMT2A

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
US-4029787-A Basically substituted 3-sulfamoylbenzoic acid derivatives and process for their preparation HOECHST AKTIENGESELLSCHAFT (DT) 1977-06-14 US disclosed