SCHEMBL21549697

SCHEMBL21549697

C=C1CCC(=O)N1OC(=O)C(S)CCSSc1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.36
HDAC2 Q92769 13/20 0.36
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9926762 0.93 HDAC1 (0.39) HDAC1HDAC2HDAC4HDAC6LMNA
SCHEMBL21549646 0.86 HDAC1 (0.35) HDAC1HDAC2HDAC4HDAC6LMNA
SCHEMBL12533282 0.83 ALDH1A1 (0.40) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL4348222 0.78 HDAC1 (0.39) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL29353376 0.78 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL18726574 0.78 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL574827 0.78 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL31005440 0.78 HDAC1 (0.39) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL9904994 0.77 HDAC1 (0.36) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL15159491 0.76 EHMT2 (0.37) HDAC1HDAC2ALDH1A1EHMT2EHMT1

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-3188733-B1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN INC (US) 2019-11-06 EP disclosed