SCHEMBL28429558

SCHEMBL28429558

CC(=O)ON(C(=N)S)c1ccccc1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 2/20 0.33
ELANE P08246 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 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
SCHEMBL28895403 0.85 LMNA (0.39) ALDH1A1TSHRKDM4ETDP1SMN1; SMN2
SCHEMBL28430203 0.81 ALDH1A1 (0.36) ALDH1A1TSHRKMT2AKDM4ETDP1
SCHEMBL3279596 0.80 NPSR1 (0.41) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL28423722 0.79 ESR1 (0.40) ALDH1A1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL14166589 0.77 NPSR1 (0.39) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL28031723 0.77 NPSR1 (0.39) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL3952213 0.76 NAPRT (0.46) TSHRKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL16416741 0.74 ALDH1A1 (0.43) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL2532016 0.72 TSHR (0.42) NPSR1ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL19639574 0.72 SMN1; SMN2 (0.33) NPSR1ALDH1A1TSHRSMN1; SMN2MTNR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109622238-B Medicament combination for flotation and recovery of rutile from rutile gravity separation middling 商洛学院 2020-07-17 CN claimed
CN-109622238-B Medicament combination for flotation and recovery of rutile from rutile gravity separation middling 商洛学院 2020-07-17 CN disclosed
CN-109622238-B Medicament combination for flotation and recovery of rutile from rutile gravity separation middling 商洛学院 2020-07-17 CN disclosed