SCHEMBL30868178

SCHEMBL30868178

CC(C)Cc1cnc(N)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 8/20 0.48
VRK1 Q99986 1/20 0.34
CPB1 P15086 3/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
XDH P47989 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
DPP4 P27487 1/20 0.31
MAPK1 P28482 2/20 0.31

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
SCHEMBL12169267 0.81 GABRA1 (0.32) CPB2GABRA1GABRB2
SCHEMBL5036417 0.81 CPB2 (0.36) CPB2CPB1NOS3NOS1NOS2
SCHEMBL12450282 0.79 VRK1 (0.36) CPB2VRK1NOS3NOS1NOS2
SCHEMBL12020099 0.79 CPB2 (0.41) CPB2VRK1NOS3NOS1NOS2
SCHEMBL21503664 0.78 ALDH1A1 (0.33) CPB2SMN1; SMN2GABRA1GABRB2
SCHEMBL21503624 0.75 PPARD (0.30)
SCHEMBL15404144 0.74 MAP4K4 (0.40)
SCHEMBL23126274 0.74 AAK1 (0.34)
SCHEMBL24984209 0.74 EGLN2 (0.35) HSD17B10
SCHEMBL21988090 0.73 RAB9A (0.40) CPB2NOS2NPC1TP53PKM

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-2024028169-A1 NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-02-08 WO disclosed