SCHEMBL31162829

SCHEMBL31162829

Cc1c(Br)ccc(NCCCCCO)c1N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PRSS1 P07477 6/20 0.37
GSTM2 P28161 1/20 0.36
CYP19A1 P11511 1/20 0.35
NQO2 P16083 4/20 0.34
TERT O14746 1/20 0.34
PTGER4 P35408 1/20 0.33
KCNH3 Q9ULD8 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
SCHEMBL22032153 0.98 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL22032134 0.94 CYP19A1 (0.40) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL28855491 0.87 PTGER4 (0.36) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL28855533 0.79 KCNH3 (0.35) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL20439755 0.79 IDO1 (0.38) ALDH1A1KDM4EGAAMAPTPTGER4
SCHEMBL28855498 0.78 PTGER4 (0.39) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL30620316 0.78 MAPT (0.34) MAPTPTGER4
SCHEMBL22084295 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL31162954 0.76 GSTM2 (0.48) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL30159346 0.75 L3MBTL1 (0.40) TSHR

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-4688779-A2 NOVEL COMPOUNDS AND USES THEREOF Acelink Therapeutics, Inc. (US) 2026-02-11 EP disclosed
WO-2024211244-A2 NOVEL COMPOUNDS AND USES THEREOF ACELINK THERAPEUTICS, INC. (US) 2024-10-10 WO disclosed