SCHEMBL25840224

SCHEMBL25840224

O=C(Cc1cnc(NC(=O)Nc2ccc(F)cc2)s1)Nc1ccc(N2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGA O60502 6/20 0.52
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 3/20 0.48
TP53 P04637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
NR4A1 P22736 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 4/20 0.47
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL20014199 0.88 OGA (0.46) OGAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20014258 0.87 MAPT (0.46) OGAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL19996070 0.86 HTR1A (0.49) OGAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20013913 0.85 MAPT (0.52) OGAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20014260 0.84 CCNC (0.50) MAPTRAB9AALDH1A1HTTKDM4E
SCHEMBL20014255 0.84 MAPT (0.54) OGAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20014254 0.83 MAPT (0.48) OGAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20013931 0.82 MAPT (0.53) OGAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20014653 0.80 MAPT (0.52) OGAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL19996064 0.79 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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-4275759-A2 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER Dana-Farber Cancer Institute, Inc. (US) 2023-11-15 EP disclosed
EP-3515449-B1 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER DANA FARBER CANCER INST INC (US) 2023-07-12 EP disclosed