SCHEMBL17599747

SCHEMBL17599747

CN1CCN(CCCNC(=O)c2cc[c]cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ LMNA P02545 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ GAA P10253 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ HDAC2 Q92769 1/20 0.60
▸ HDAC8 Q9BY41 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ RAD52 P43351 1/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ TSHR P16473 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ DRD2 P14416 1/20 0.49

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
SCHEMBL8127203 0.92 HDAC2 (0.72) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL3112471 0.87 MAPT (0.60) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL16227646 0.86 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL3034681 0.85 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2GAATSHRKDM4E
SCHEMBL178534 0.84 KMT2A (0.71) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL19226707 0.82 SMN1; SMN2 (0.92) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL12074931 0.81 LMNA (0.92) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL12132533 0.81 LMNA (0.64) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL4150303 0.81 LMNA (0.50) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL19891358 0.80 DRD2 (0.62) ALDH1A1SMN1; SMN2LMNAMAPTGAA

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-2091527-B1 SULFIDE, SULFOXIDE AND SULFONE CHALCONE ANALOGUES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2016-03-23 — — EP disclosed
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