SCHEMBL29953310

SCHEMBL29953310

O=C(NC1CC1)c1ccc(B(O)O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
P2RX7 Q99572 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK14 Q16539 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL15550053 1.00 HPGD (0.52) HPGDNPC1RAB9AHRH3SMN1; SMN2
SCHEMBL29954231 0.94 NPC1 (0.52) HPGDNPC1RAB9AHRH3SMN1; SMN2
SCHEMBL29952096 0.93 NPC1 (0.55) HPGDNPC1RAB9ASMN1; SMN2KDM1A
SCHEMBL457248 0.82 NPC1 (0.50) HPGDNPC1RAB9ASMN1; SMN2TAS1R3
SCHEMBL4043511 0.82 HPGD (0.64) HPGDNPC1RAB9AHRH3SMN1; SMN2
SCHEMBL29951948 0.81 KDM1A (0.57) HPGDNPC1RAB9ASMN1; SMN2KDM1A
SCHEMBL4191547 0.81 HPGD (0.71) HPGDNPC1RAB9AHRH3SMN1; SMN2
SCHEMBL29955977 0.79 HPGD (0.55) HPGDNPC1RAB9ASMN1; SMN2TAS1R3
SCHEMBL15940756 0.79 HPGD (0.55) HPGDNPC1RAB9ASMN1; SMN2TAS1R3
SCHEMBL19947326 0.78 HPGD (0.63) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed