SCHEMBL29956671

SCHEMBL29956671

Cc1nc2cccc(B(O)O)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 6/20 0.40
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PPARG P37231 2/20 0.38
NR2E3 Q9Y5X4 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
STAT1 P42224 1/20 0.38
GAA P10253 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CDK1 P06493 1/20 0.35

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
SCHEMBL20297657 0.80 ASH1L (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4857995 0.79 APP (0.50) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL7958840 0.76 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL31063715 0.76 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL28598741 0.76 APP (0.49) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL30594904 0.76 APP (0.49) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL25156042 0.73 RAB9A (0.42) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL7216764 0.73 RAB9A (0.42) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3391827 0.73 PSMB8 (0.56) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL30626911 0.73 RAB9A (0.42) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1

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