SCHEMBL24358019

SCHEMBL24358019

Nc1nc(-c2ccc(OCC(F)(F)F)cn2)cs1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.42
RAB9A P51151 7/20 0.41
NPC1 O15118 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
MPL P40238 5/20 0.40
ALOX5 P09917 1/20 0.37

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
SCHEMBL24358021 0.81 MEN1 (0.52) LTA4HRAB9ANPC1ALDH1A1MAPT
SCHEMBL29601739 0.81 MEN1 (0.52) LTA4HRAB9ANPC1ALDH1A1MAPT
SCHEMBL18113734 0.77 MPL (0.55) LTA4HRAB9ANPC1ALDH1A1MAPT
SCHEMBL21484651 0.77 NPC1 (0.63) LTA4HRAB9ANPC1ALDH1A1MAPT
SCHEMBL3038954 0.75 NPC1 (0.67) LTA4HRAB9ANPC1ALDH1A1MAPT
SCHEMBL27039686 0.73 NPC1 (0.45) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30745779 0.73 NPC1 (0.45) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL18172012 0.73 ALDH1A1 (0.50) LTA4HALDH1A1MAPT
SCHEMBL24358000 0.72 KCNN1 (0.58) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24358076 0.72 NPC1 (0.60) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2

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-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed