SCHEMBL23449223

SCHEMBL23449223

CCCCC(NC=O)C(=O)Nc1cccc(CBr)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.43
▸ S1PR4 O95977 2/20 0.43
▸ S1PR3 Q99500 2/20 0.43
▸ S1PR5 Q9H228 2/20 0.43
▸ PLAU P00749 1/20 0.42
▸ HPN P05981 1/20 0.42
▸ SIRT2 Q8IXJ6 6/20 0.41
▸ SIRT1 Q96EB6 6/20 0.41
▸ SIRT3 Q9NTG7 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ MEF2D Q14814 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL23448822 0.89 KDM1A (0.43) S1PR1S1PR4S1PR3S1PR5PLAU
SCHEMBL23448620 0.75 CA1 (0.45) PLAUHPNHSD17B10MAPTMEN1
SCHEMBL23976663 0.74 MEN1 (0.48) TSHRHSD17B10MAPTMEN1ALDH1A1
SCHEMBL6110283 0.74 SMN1; SMN2 (0.56) TSHRMAPTMEN1ALDH1A1KMT2A
SCHEMBL26249741 0.74 S1PR1 (0.45) S1PR1S1PR4S1PR3S1PR5SIRT2
SCHEMBL23448721 0.73 HSD17B10 (0.58) PLAUHPNHSD17B10MAPTMEN1
SCHEMBL26253054 0.73 S1PR1 (0.47) S1PR1S1PR4S1PR3S1PR5SIRT2
SCHEMBL23448718 0.71 L3MBTL1 (0.41) TSHRMAPTMEN1ALDH1A1MAPK1
SCHEMBL13350786 0.70 SLC15A1 (0.43) TSHRSMN1; SMN2CA1CA2
SCHEMBL9955555 0.70 MME (0.60) HDAC4

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-2021106988-A1 G9a INHIBITOR 杏林製薬株式会社 2021-06-03 — — WO disclosed
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