SCHEMBL21301043

SCHEMBL21301043

O=C(CCCCO)NCc1ccc(-c2nncnn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TPSAB1 Q15661 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.45
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL1299177 0.86 GAA (0.53) MEN1KMT2ATPSAB1LMNAGAA
SCHEMBL23879899 0.85 KMT2A (0.59) MEN1KMT2ATPSAB1LMNAGAA
SCHEMBL16384737 0.85 TPSAB1 (0.49) MEN1KMT2ATPSAB1LMNAGAA
SCHEMBL26036197 0.85 TPSAB1 (0.49) MEN1KMT2ATPSAB1LMNAGAA
SCHEMBL21786938 0.84 MEN1 (0.49) MEN1KMT2ATPSAB1LMNAGAA
SCHEMBL21301045 0.84 TPSAB1 (0.44) MEN1KMT2ATPSAB1LMNAGAA
SCHEMBL14677758 0.83 HTT (0.57) MEN1KMT2ATPSAB1LMNAGAA
SCHEMBL15748044 0.83 CYP3A4 (0.55) MEN1KMT2ATPSAB1GAALTB4R2
SCHEMBL15748539 0.83 TPSAB1 (0.42) MEN1KMT2ATPSAB1LMNAGAA
SCHEMBL21422726 0.82 TPSAB1 (0.46) MEN1KMT2ATPSAB1LMNAGAA

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-2361098-B1 COMPOSITIONS AND METHODS FOR DELIVERING A SUBSTANCE TO A BIOLOGICAL TARGET MASSACHUSETTS GEN HOSPITAL (US) 2019-08-28 — — EP disclosed
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