SCHEMBL25997264

SCHEMBL25997264

CC1CN(c2ccc3cc(-c4nc5ccc(S(=O)(=O)O)cc5s4)c(=O)oc3c2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.57
PIK3CD O00329 1/20 0.46
PIK3CB P42338 1/20 0.46
MIF P14174 1/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
SLC16A3 O15427 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GLA P06280 3/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL22372330 0.90 ALK (0.54) ALKPIK3CDPIK3CBLMNASMN1; SMN2
SCHEMBL25997262 0.84 PIK3CD (0.62) ALKPIK3CDPIK3CBMIFLMNA
SCHEMBL25997253 0.83 KDM4E (0.40) ALKLMNASMN1; SMN2SLC16A3KDM4E
SCHEMBL25997260 0.79 PIK3CD (0.58) ALKPIK3CDPIK3CBLMNASMN1; SMN2
SCHEMBL20698853 0.77 CYP19A1 (0.56) ALKPIK3CDPIK3CBLMNASMN1; SMN2
SCHEMBL25997259 0.77 PIK3CD (0.60) ALKPIK3CDPIK3CBMIFLMNA
SCHEMBL15069276 0.76 PIK3CD (0.59) ALKPIK3CDPIK3CBMIFLMNA
SCHEMBL22372346 0.75 PIK3CD (0.62) ALKPIK3CDPIK3CBMIFLMNA
SCHEMBL25997258 0.73 KDM4E (0.40) ALKSMN1; SMN2SLC16A3KDM4EALDH1A1
SCHEMBL22388962 0.73 SLC16A3 (0.41) ALKSMN1; SMN2SLC16A3KDM4EALDH1A1

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-20230265503-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-08-24 US disclosed