SCHEMBL11705684

SCHEMBL11705684

CN(C(=O)CCS)c1ccc(N(C)C(=O)CCS)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 2/20 0.42
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ FOLH1 Q04609 1/20 0.38
▸ POLQ O75417 1/20 0.37
▸ POLB P06746 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL11704882 0.82 KMT2A (0.42) MLYCDHDAC1HDAC2HDAC10HDAC8
SCHEMBL14174853 0.76 ALDH1A1 (0.44) MLYCDKMT2AGAAPOLBLMNA
SCHEMBL11217748 0.75 EGFR (0.38) MLYCDKMT2AGAAHPGDFOLH1
SCHEMBL3156597 0.75 PHLPP2 (0.46) MLYCDKMT2AGAAHPGDFOLH1
SCHEMBL21765854 0.75 KMT2A (0.43) MLYCDKMT2AHPGDPOLQPOLB
SCHEMBL24827575 0.74 KMT2A (0.43) KMT2AFOLH1ALDH1A1
SCHEMBL17089409 0.74 ALDH1A1 (0.45) MLYCDKMT2AGAAPOLBLMNA
SCHEMBL12352210 0.74 PGR (0.50) HDAC11ALDH1A1
SCHEMBL19963279 0.74 GAA (0.47) MLYCDKMT2AGAAHPGDFOLH1
Water SCHEMBL11223675 0.74 EGFR (0.37) MLYCDKMT2AGAAHPGDFOLH1

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
US-4013618-A NITROGEN-CONTAINING STABILIZER TOYOBO CO., LTD. (JA) 1977-03-22 — — US disclosed
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