SCHEMBL31435359

SCHEMBL31435359

N#Cc1cc(CO)ccc1OCC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.52
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
G6PD P11413 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CACNA1H O95180 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39

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
SCHEMBL31435351 1.00 AR (0.52) ARS1PR1S1PR3S1PR5KDM4E
SCHEMBL8157355 0.91 AR (0.52) ARS1PR1S1PR3S1PR5KDM4E
SCHEMBL31435353 0.85 S1PR1 (0.41) ARS1PR1S1PR3S1PR5KDM4E
SCHEMBL15716231 0.82 S1PR1 (0.42) ARS1PR1S1PR3S1PR5KDM4E
SCHEMBL1918756 0.81 AR (0.51) ARS1PR1PTGDR2RXRARXRB
SCHEMBL3290437 0.80 AR (0.50) ARS1PR1KDM4EMEN1USP2
SCHEMBL16953199 0.80 AR (0.46) ARS1PR1S1PR3KDM4EALDH1A1
SCHEMBL12128120 0.78 AAK1 (0.49) ARS1PR1S1PR3S1PR5KDM4E
SCHEMBL6052133 0.78 ALDH1A1 (0.56) ARS1PR1S1PR3S1PR5KDM4E
SCHEMBL4918518 0.78 AR (0.47) ARS1PR1KDM4EMEN1USP2

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-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed