SCHEMBL24215562

SCHEMBL24215562

Cc1cc(N)cnc1N1CCN(CC(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ PIK3CA P42336 3/20 0.37
▸ MTOR P42345 2/20 0.37
▸ MAPT P10636 4/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ ACACB O00763 1/20 0.32

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
SCHEMBL23622940 0.84 SCN10A (0.39) SCN10APIK3CAMTORMAPTSMN1; SMN2
SCHEMBL23622921 0.83 SMN1; SMN2 (0.48) SCN10AMAPTSMN1; SMN2ALDH1A1DRD2
SCHEMBL1816828 0.77 HRH4 (0.50) MAPTGAAGFERSMN1; SMN2ALDH1A1
SCHEMBL14782147 0.77 ALDH1A1 (0.47) TRPV1MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL14784205 0.77 ALDH1A1 (0.43) TRPV1MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL23623107 0.77 PIK3CA (0.48) PIK3CAMTORMAPTGAARAD52
Hydrochloric Acid SCHEMBL4752368 0.76 HRH4 (0.49) MAPTGAARAD52GFERSMN1; SMN2
SCHEMBL30336490 0.76 TRPV1 (0.42) TRPV1SCN10APIK3CAMTORMAPT
SCHEMBL25199994 0.76 TRPV1 (0.42) TRPV1SCN10APIK3CAMTORMAPT
SCHEMBL23623623 0.76 JAK2 (0.40) DRD2

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-2022015957-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 — — WO disclosed
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