SCHEMBL29954067

SCHEMBL29954067

OB(O)c1ccc(-c2nc3ccccc3s2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 16/20 0.59
NPC1 O15118 15/20 0.59
KDM4E B2RXH2 13/20 0.59
MAPT P10636 10/20 0.59
SMN1; SMN2 Q16637 9/20 0.59
ALDH1A1 P00352 9/20 0.59
HPGD P15428 4/20 0.59
TP53 P04637 4/20 0.59
HSD17B10 Q99714 4/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
PPARG P37231 1/20 0.59
NCOA2 Q15596 1/20 0.59
NCOA1 Q15788 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
GAA P10253 4/20 0.49
LMNA P02545 3/20 0.49
GLA P06280 1/20 0.49
POLB P06746 2/20 0.48

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
SCHEMBL10297868 0.82 NPC1 (0.76) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL10045300 0.75 RAB9A (0.65) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL299974 0.75 NPC1 (1.00) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL827403 0.74 RAB9A (0.67) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL26745365 0.73 RAB9A (0.63) RAB9ANPC1KDM4EMAPTSMN1; SMN2
Methane SCHEMBL28056221 0.72 RAB9A (0.64) RAB9ANPC1KDM4EMAPTSMN1; SMN2
Hydrogen Sulfide SCHEMBL28205214 0.72 RAB9A (0.64) RAB9ANPC1KDM4EMAPTSMN1; SMN2
Hydrogen Sulfide SCHEMBL16859912 0.72 RAB9A (0.64) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL2998404 0.72 KDM4E (0.63) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL2380254 0.72 RAB9A (0.68) RAB9ANPC1KDM4EMAPTSMN1; SMN2

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