SCHEMBL8611754

SCHEMBL8611754

Cc1ccc(Cl)c(NCC(=O)c2ccccc2)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.62
▸ AGTR1 P30556 4/20 0.62
▸ MAPT P10636 3/20 0.62
▸ GAA P10253 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ PTGS2 P35354 6/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ CLCN2 P51788 3/20 0.51
▸ METTL3 Q86U44 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ AKR1B10 O60218 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ TTR P02766 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ FABP2 P12104 1/20 0.51
▸ RXRA P19793 1/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ NR4A1 P22736 1/20 0.51

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
SCHEMBL11407555 0.81 ALDH1A1 (0.55) ALDH1A1AGTR1MAPTGAASMN1; SMN2
SCHEMBL11274238 0.78 ALDH1A1 (0.55) ALDH1A1AGTR1MAPTGAASMN1; SMN2
SCHEMBL9768040 0.75 ALDH1A1 (0.52) ALDH1A1AGTR1MAPTGAASMN1; SMN2
SCHEMBL5320792 0.71 RAB9A (0.65) ALDH1A1AGTR1MAPTGAASMN1; SMN2
SCHEMBL28095642 0.71 AGTR1 (0.65) ALDH1A1AGTR1MAPTGAASMN1; SMN2
SCHEMBL19707725 0.71 MAPT (0.76) ALDH1A1AGTR1MAPTGAASMN1; SMN2
SCHEMBL11183196 0.71 AGTR1 (0.51) ALDH1A1AGTR1MAPTGAASMN1; SMN2
SCHEMBL9735497 0.70 PTGS2 (0.48) ALDH1A1MAPTGAAPTGS2MEN1
SCHEMBL7581152 0.69 ALDH1A1 (0.46) ALDH1A1AGTR1MAPTGAASMN1; SMN2
SCHEMBL24021602 0.69 MEN1 (0.56) ALDH1A1MAPTGAASMN1; SMN2PTGS2

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-5840758-A USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ABBOTT LABORATORIES (US) 1998-11-24 — — US disclosed
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