SCHEMBL13110503

SCHEMBL13110503

CO[C@H]1CN(CC(=O)Nc2nc3c(s2)CNCC3)C[C@@H]1NC(=O)c1ccc(Cl)s1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.55
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SLC27A1 Q6PCB7 1/20 0.38
▸ CHKA P35790 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8258187 0.86 F10 (0.55) F10ALDH1A1MAPTSMN1; SMN2
SCHEMBL13110504 0.84 F10 (0.53) F10CHKA
SCHEMBL8251764 0.84 F10 (0.52) F10ALDH1A1LMNAMAPTTDP1
SCHEMBL8260087 0.83 F10 (0.52) F10ALDH1A1LMNAMAPTTDP1
SCHEMBL13110499 0.82 F10 (0.51) F10
SCHEMBL3449536 0.73 F10 (0.54) F10ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8259952 0.72 F10 (0.78) F10
SCHEMBL8258146 0.71 F10 (1.00) F10
SCHEMBL13110326 0.69 F10 (0.62) F10
SCHEMBL8260493 0.69 F10 (0.81) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
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