SCHEMBL28880138

SCHEMBL28880138

O=CN(c1cccs1)c1cc(Cl)ncc1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28754527 0.76 ALDH1A1 (0.33) TDP1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL722827 0.76 ALDH1A1 (0.32) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL28754548 0.67 ERN1 (0.34) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2692918 0.67 NNMT (0.36) TDP1GAA
SCHEMBL29069395 0.65 POLB (0.36) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL28728840 0.62 ALDH1A1 (0.30) GAAMAPTSMN1; SMN2
SCHEMBL28161817 0.62 ERN1 (0.35) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL23753723 0.61 ALDH1A1 (0.40) TDP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL209431 0.59 — —
SCHEMBL27705514 0.59 — —

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
CN-115297861-A Compound and use thereof 福宏治疗公司 2022-11-04 — — CN disclosed
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