SCHEMBL10531813

SCHEMBL10531813

[O-][S+](c1nccs1)n1cnc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ TNF P01375 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH3A1 P30838 2/20 0.32

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
SCHEMBL3335253 0.74 POLB (0.46) HTTTDP1POLBLMNASMN1; SMN2
SCHEMBL1618548 0.73 TDP1 (0.48) HTTTDP1POLBLMNASMN1; SMN2
SCHEMBL22475379 0.71 TDP1 (0.46) HTTTDP1POLBLMNASMN1; SMN2
SCHEMBL9092595 0.71 TDP1 (0.46) HTTTDP1POLBLMNASMN1; SMN2
SCHEMBL2794591 0.71 TDP1 (0.46) HTTTDP1POLBLMNASMN1; SMN2
SCHEMBL9677089 0.70 TDP1 (0.39) HTTTDP1POLBLMNASMN1; SMN2
SCHEMBL2802532 0.69 TDP1 (0.44) HTTTDP1POLBLMNASMN1; SMN2
SCHEMBL1387982 0.67 PDE10A (0.54) HTTPOLBLMNAPDE10AALDH1A1
SCHEMBL9560914 0.67 TDP1 (0.46) HTTTDP1POLBLMNASMN1; SMN2
SCHEMBL9236926 0.67 TDP1 (0.42) HTTTDP1POLBLMNASMN1; 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-4873346-A BRONCHODILATORS, TREATMENT OF ASTHMA THE UPJOHN COMPANY (US) 1989-10-10 — — US disclosed
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