SCHEMBL27136755

SCHEMBL27136755

Cc1cnn(-c2cccc(C(F)(F)F)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP17A1 P05093 1/20 0.40
PDE10A Q9Y233 1/20 0.39
GRIN2B Q13224 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PHGDH O43175 1/20 0.38
IRAK4 Q9NWZ3 6/20 0.37
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
CYP1A2 P05177 2/20 0.34

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
SCHEMBL4895758 0.83 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL2005694 0.78 MAPT (0.45) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL27915701 0.77 EGLN1 (0.47) PHGDHIRAK4
SCHEMBL26522667 0.76 TDO2 (0.44) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL15330702 0.75 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL16547474 0.73 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL12075244 0.73 EPHX2 (0.45) ALDH1A1SMN1; SMN2MAPTL3MBTL1PDE10A
SCHEMBL15293909 0.72 CYP17A1 (0.43) SMN1; SMN2MAPTL3MBTL1CYP17A1PDE10A
SCHEMBL7221759 0.71 IRAK4 (0.38) CYP17A1GRIN2BIRAK4GABRA1GABRG2
SCHEMBL15293912 0.71 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT

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-2024044730-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed