SCHEMBL9738340

SCHEMBL9738340

O=C(NCC1=CSC(c2cccnc2)N1)Nc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.51
▸ NAMPT P43490 2/20 0.50
▸ PTAFR P25105 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
Hydrochloric Acid SCHEMBL9717955 0.99 TSHR (0.50) TSHRNAMPTPTAFRSMN1; SMN2L3MBTL1
SCHEMBL9717898 0.89 PTAFR (0.45) NAMPTPTAFR
Hydrochloric Acid SCHEMBL9717927 0.88 PTAFR (0.44) NAMPTPTAFR
SCHEMBL9717850 0.88 TSHR (0.47) TSHRNAMPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL9646322 0.87 PTAFR (0.47) PTAFRL3MBTL1RAB9A
SCHEMBL9717875 0.82 NAMPT (0.45) NAMPTPTAFRL3MBTL1RAB9A
SCHEMBL9738331 0.78 PTAFR (0.50) PTAFR
Hydrochloric Acid SCHEMBL9717958 0.78 PTAFR (0.49) PTAFR
SCHEMBL9717904 0.76 VNN1 (0.39) NAMPTL3MBTL1
SCHEMBL9717971 0.76 GRM2 (0.46) TSHRPTAFR

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
WO-1992019618-A1 PLATELET ACTIVATING ANTAGONISTS ABBOTT LABORATORIES (US) 1992-11-12 — — WO disclosed
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