SCHEMBL24746302

SCHEMBL24746302

O=C(c1ccc(S)c(F)c1)N1CC2CCC1CC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
HSD11B1 P28845 6/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SOST Q9BQB4 1/20 0.34
USP30 Q70CQ3 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MGLL Q99685 1/20 0.34
GRM5 P41594 3/20 0.33

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
SCHEMBL24746198 0.92 RAB9A (0.44) RAB9ANPC1HSD11B1KMT2AGRM5
SCHEMBL24746293 0.76 RAB9A (0.44) RAB9ANPC1HSD11B1KMT2AMEN1
SCHEMBL7436185 0.72 PIK3CD (0.45) KMT2AMGLL
SCHEMBL24746206 0.72 NAMPT (0.41) HSD11B1KMT2AMEN1MGLLGRM5
SCHEMBL10032955 0.72 SOST (0.34) RAB9ANPC1HSD11B1KMT2ASOST
SCHEMBL24746289 0.71 HSD11B1 (0.52) HSD11B1KMT2AMEN1MGLLGRM5
SCHEMBL548617 0.71 GRIA3 (0.53) RAB9ANPC1KMT2ASOSTTAS1R3
SCHEMBL15458881 0.69 RAB9A (0.40) RAB9ANPC1KMT2AGRM5
SCHEMBL8403465 0.68 LMNA (0.55) RAB9A
SCHEMBL25095608 0.65 HSP90AA1 (0.38) HSD11B1KMT2AMEN1GRM5

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-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed