SCHEMBL18903977

SCHEMBL18903977

Cc1nn(C)c(C)c1N[S+]([O-])Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 9/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35

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
SCHEMBL18903949 0.71 HTT (0.38) NMT1SMN1; SMN2LMNAHTT
SCHEMBL18904219 0.69 NMT1 (0.55) NMT1
SCHEMBL16509621 0.68 NMT1 (0.55) NMT1SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL18904188 0.68 KMT2A (0.46) NMT1SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL16502994 0.66 SMN1; SMN2 (0.70) NMT1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL14930167 0.66 TP53 (0.44) LMNAHTTL3MBTL1
SCHEMBL13551811 0.65 LMNA (0.39) LMNAHTT
SCHEMBL18903785 0.65 LMNA (0.37) NMT1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL18903780 0.65 NMT1 (0.42) NMT1SMN1; SMN2LMNAHTTTSHR
SCHEMBL13554194 0.63 TP53 (0.41) SMN1; SMN2HTT

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
EP-2980076-B1 Pyrazolyl derivatives UNIV DUNDEE (GB) 2017-05-31 — — EP disclosed
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