SCHEMBL25079458

SCHEMBL25079458

Oc1c(C(c2ncccc2F)N2CCCC2)ccc2cccnc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 5/20 0.70
ALDH1A1 P00352 6/20 0.65
MAPT P10636 6/20 0.65
KDM4E B2RXH2 5/20 0.65
KMT2A Q03164 4/20 0.65
NPSR1 Q6W5P4 3/20 0.65
HTT P42858 3/20 0.65
HSP90AA1 P07900 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
S1PR4 O95977 1/20 0.65
S1PR1 P21453 1/20 0.65
AGTR1 P30556 1/20 0.65
ALOX12 P18054 5/20 0.55
LMNA P02545 5/20 0.55
TP53 P04637 4/20 0.55
ALOX15 P16050 3/20 0.55
HSD17B10 Q99714 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
PPP1CA P62136 1/20 0.55

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
SCHEMBL30253871 1.00 P4HB (0.70) P4HBALDH1A1MAPTKDM4EKMT2A
SCHEMBL25079096 0.90 ALOX12 (0.69) P4HBALDH1A1MAPTKDM4EKMT2A
SCHEMBL30253817 0.90 ALOX12 (0.69) P4HBALDH1A1MAPTKDM4EKMT2A
SCHEMBL30253958 0.85 P4HB (0.53) P4HBALDH1A1MAPTKDM4EKMT2A
SCHEMBL25079457 0.85 P4HB (0.53) P4HBALDH1A1MAPTKDM4EKMT2A
SCHEMBL1700908 0.83 P4HB (0.98) P4HBALDH1A1MAPTKDM4EKMT2A
SCHEMBL25079006 0.82 P4HB (0.49) P4HBALDH1A1MAPTKDM4EKMT2A
SCHEMBL30253616 0.82 P4HB (0.49) P4HBALDH1A1MAPTKDM4EKMT2A
SCHEMBL30253582 0.82 TP53 (0.49) P4HBALDH1A1MAPTKDM4EKMT2A
SCHEMBL25079000 0.81 ALOX12 (0.51) P4HBALDH1A1MAPTKDM4EKMT2A

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