SCHEMBL26705443

SCHEMBL26705443

O=C(Nc1ccc(F)c(F)c1)c1cccc2c1CCC2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.59
RAB9A P51151 9/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
TP53 P04637 3/20 0.59
NFKB1 P19838 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
MAPT P10636 3/20 0.59
HTT P42858 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ATM Q13315 1/20 0.50
CXCR5 P32302 2/20 0.49
ALDH1A1 P00352 1/20 0.46
AKR1C3 P42330 1/20 0.46

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
SCHEMBL15786681 0.97 L3MBTL1 (0.57) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL26706114 0.90 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL26705884 0.89 FADS1 (0.58) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL17208120 0.86 FADS1 (0.58) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL15786680 0.86 L3MBTL1 (0.54) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL22446047 0.78 TP53 (0.52) NPC1RAB9ASMN1; SMN2TP53NFKB1
Hydrochloric Acid SCHEMBL19973484 0.77 TP53 (0.46) NPC1RAB9ASMN1; SMN2TP53NFKB1
Hydrochloric Acid SCHEMBL19973483 0.77 TP53 (0.46) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL21189386 0.77 TP53 (0.46) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL19973509 0.76 TP53 (0.47) NPC1RAB9ASMN1; SMN2TP53NFKB1

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
EP-3601216-B1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION ARBUTUS BIOPHARMA CORP (CA) 2023-10-25 EP disclosed