SCHEMBL5336281

SCHEMBL5336281

[CH2]CCCC(=O)N1CCN(C(=O)CBr)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ GNAI3 P08754 2/20 0.40
▸ GNAI1 P63096 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GLA P06280 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
SCHEMBL6043978 0.81 ATM (0.74) MEN1KMT2ATDP1ALDH1A1HPGD
SCHEMBL6050119 0.81 ATM (0.67) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL6043670 0.80 ATM (0.48) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL27155224 0.80 ALDH1A1 (0.62) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL8149192 0.80 ALDH1A1 (0.62) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL6042389 0.79 ATM (0.71) MEN1KMT2ATDP1ALDH1A1HPGD
SCHEMBL5465893 0.77 GNAI3 (0.67) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL9433090 0.76 ATM (0.48) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL5536314 0.76 ATM (0.48) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL294529 0.76 GLA (0.59) LMNAALDH1A1KDM4EUSP2CYP3A4

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-2007045962-A2 NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-26 — — WO disclosed
Send feedback