SCHEMBL14217625

SCHEMBL14217625

CCC(OC)ONC(=O)c1ccc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CCR8 P51685 1/20 0.46
▸ TPSAB1 Q15661 3/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.43
▸ HTR7 P34969 2/20 0.42
▸ SFRP1 Q8N474 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ F10 P00742 2/20 0.39
▸ PLAU P00749 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL8350065 0.81 HDAC6 (0.56) ALDH1A1KMT2ASMN1; SMN2CCR8TPSAB1
SCHEMBL10327746 0.79 KMT2A (0.46) ALDH1A1KMT2ASMN1; SMN2CCR8TPSAB1
SCHEMBL10194565 0.79 SFRP1 (0.60) ALDH1A1KMT2ASMN1; SMN2TPSAB1DPP4
SCHEMBL8350676 0.77 KMT2A (0.44) ALDH1A1KMT2ASMN1; SMN2CCR8TPSAB1
SCHEMBL10194631 0.76 HDAC6 (0.57) ALDH1A1KMT2ASMN1; SMN2TPSAB1DPP4
SCHEMBL13225618 0.72 HDAC6 (0.48) ALDH1A1KMT2ASMN1; SMN2TPSAB1SFRP1
SCHEMBL10194566 0.71 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2CCR8TPSAB1
SCHEMBL14217565 0.70 SMN1; SMN2 (0.41) ALDH1A1KMT2ASMN1; SMN2CCR8TPSAB1
SCHEMBL10194626 0.70 HDAC8 (0.50) ALDH1A1KMT2ASMN1; SMN2CCR8DPP4
SCHEMBL2097769 0.68 KMT2A (0.65) ALDH1A1KMT2ASMN1; SMN2CCR8DPP4

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-1485354-B1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2008-05-28 — — EP disclosed
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