SCHEMBL25079080

SCHEMBL25079080

CC1CN(C(c2ccc3scnc3c2O)c2ncccc2F)CC(C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 3/20 0.46
HSD17B10 Q99714 5/20 0.35
ALOX15 P16050 4/20 0.35
HPGD P15428 3/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 6/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
HTT P42858 4/20 0.33
ALOX12 P18054 5/20 0.32
TP53 P04637 3/20 0.32
LMNA P02545 2/20 0.32
PPP1CA P62136 1/20 0.32
BRAF P15056 1/20 0.32
KDM4E B2RXH2 3/20 0.31
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL25079463 0.89 P4HB (0.47) P4HBHSD17B10ALOX15HPGDALDH1A1
SCHEMBL25079079 0.89 P4HB (0.46) P4HBHSD17B10ALOX15HPGDALDH1A1
SCHEMBL25078943 0.85 P4HB (0.52) P4HBHSD17B10ALOX15HPGDTSHR
SCHEMBL30253755 0.85 ALDH1A1 (0.39) P4HBHSD17B10ALOX15HPGDTSHR
SCHEMBL30253648 0.85 ALDH1A1 (0.39) P4HBHSD17B10ALOX15HPGDTSHR
SCHEMBL25078945 0.85 ALDH1A1 (0.39) P4HBHSD17B10ALOX15HPGDTSHR
SCHEMBL25079050 0.85 ALDH1A1 (0.39) P4HBHSD17B10ALOX15HPGDTSHR
SCHEMBL25079006 0.84 P4HB (0.49) P4HBHSD17B10ALOX15HPGDALDH1A1
SCHEMBL30253616 0.84 P4HB (0.49) P4HBHSD17B10ALOX15HPGDALDH1A1
SCHEMBL25078996 0.83 P4HB (0.53) P4HBHSD17B10ALOX15HPGDALDH1A1

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-2023020534-A1 COMPOUNDS AND THEIR USES AS MIF INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-02-23 WO disclosed