SCHEMBL25827994

SCHEMBL25827994

CSc1ncc(C(=O)NCC=C(F)F)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
AHR P35869 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
RXFP1 Q9HBX9 3/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL22743267 0.85 RAB9A (0.47) THRBAHRRAB9ANPC1RXFP1
SCHEMBL4354331 0.78 ALDH1A1 (0.46) THRBAHRLMNARAB9ANPC1
SCHEMBL6073484 0.72 RAB9A (0.49) AHRRAB9ANPC1POLBMAPT
SCHEMBL5209725 0.72 PIM1 (0.45) AHRLMNARAB9ANPC1MAPT
SCHEMBL3084614 0.72 KDM4E (0.54) THRBAHRRAB9ANPC1RXFP1
SCHEMBL3263497 0.71 POLB (0.63) THRBLMNARAB9ARXFP1POLB
SCHEMBL7563419 0.71 SMN1; SMN2 (0.49) LMNARAB9ANPC1MAPT
SCHEMBL25898537 0.70 AHR (0.56) THRBAHRLMNARAB9ANPC1
SCHEMBL23086109 0.68 RXFP1 (0.54) THRBAHRLMNANPC1RXFP1
SCHEMBL3970353 0.68 THRB (0.41) THRBAHRLMNARXFP1POLB

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-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed