SCHEMBL8260087

SCHEMBL8260087

O=C(CN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1)Nc1nc2c(s1)CNCC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SLC27A1 Q6PCB7 8/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CHKA P35790 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8260111 0.83 F10 (0.51) F10ALDH1A1LMNAMAPTTDP1
SCHEMBL13110503 0.83 F10 (0.55) F10ALDH1A1LMNASLC27A1RAB9A
SCHEMBL13110278 0.74 F10 (0.55) F10ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL8258187 0.70 F10 (0.55) F10ALDH1A1SMN1; SMN2MAPT
SCHEMBL8251764 0.69 F10 (0.52) F10ALDH1A1LMNAMAPTTDP1
SCHEMBL3447166 0.69 F10 (0.50) F10ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL3447170 0.69 F10 (0.50) F10ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL8257332 0.69 F10 (1.00) F10
SCHEMBL8257336 0.69 F10 (1.00) F10
SCHEMBL3448527 0.68 KMT2A (0.58) F10ALDH1A1RAB9ASMN1; SMN2NPC1

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-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — WO disclosed
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