SCHEMBL25079006

SCHEMBL25079006

CC1CN(C(c2ccc3cccnc3c2O)c2ncccc2F)CC(C)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 4/20 0.49
TP53 P04637 6/20 0.47
ALOX12 P18054 6/20 0.47
LMNA P02545 5/20 0.47
ALOX15 P16050 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PPP1CA P62136 1/20 0.47
BRAF P15056 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 3/20 0.45
MAPK1 P28482 3/20 0.45
ESR2 Q92731 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HSP90AA1 P07900 2/20 0.45

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
SCHEMBL30253616 1.00 P4HB (0.49) P4HBTP53ALOX12LMNAALOX15
SCHEMBL30253796 0.88 ALOX12 (0.51) P4HBTP53ALOX12LMNAALOX15
SCHEMBL25079000 0.88 ALOX12 (0.51) P4HBTP53ALOX12LMNAALOX15
SCHEMBL1240268 0.85 P4HB (0.69) P4HBTP53ALOX12LMNAALOX15
SCHEMBL25079050 0.84 ALDH1A1 (0.39) P4HBTP53ALOX12LMNAALOX15
SCHEMBL25078945 0.84 ALDH1A1 (0.39) P4HBTP53ALOX12LMNAALOX15
SCHEMBL30253648 0.84 ALDH1A1 (0.39) P4HBTP53ALOX12LMNAALOX15
SCHEMBL30253755 0.84 ALDH1A1 (0.39) P4HBTP53ALOX12LMNAALOX15
SCHEMBL25079080 0.84 P4HB (0.46) P4HBTP53ALOX12LMNAALOX15
SCHEMBL11955339 0.84 ALDH1A1 (0.55) P4HBTP53ALOX12LMNAALOX15

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