SCHEMBL27463527

SCHEMBL27463527

Nc1cc(C2(C(F)(F)F)CC2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.52
NOS2 P35228 4/20 0.52
NOS1 P29475 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4C Q9H3R0 1/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 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
SCHEMBL17595010 0.79 RECQL (0.35) NOS3NOS2KDM4CSIGMAR1WDR5
SCHEMBL31283794 0.79 RECQL (0.35) NOS3NOS2KDM4CSIGMAR1WDR5
SCHEMBL20264735 0.75 HDAC6 (0.40) KDM4C
SCHEMBL31026257 0.73 NOS3 (0.36) NOS3NOS2KDM4EKDM4CGABRP
SCHEMBL28165728 0.72 KDM4C (0.38) KDM4EKDM4CSIGMAR1
SCHEMBL24028220 0.70 TSHR (0.44) KDM4EMEN1KMT2ACA2SIGMAR1
SCHEMBL30212897 0.70 TSHR (0.44) KDM4EMEN1KMT2ACA2SIGMAR1
SCHEMBL28168097 0.70 SIGMAR1 (0.42) SIGMAR1WDR5
SCHEMBL59927 0.69 NOS3 (1.00) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL29432593 0.69 NOS3 (1.00) NOS3NOS2NOS1KDM4EMEN1

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-2024112854-A1 INHIBITORS OF RIPK2 AND MEDICAL USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed