SCHEMBL29953421

SCHEMBL29953421

O=Cc1cc(-c2ccc(C(=O)O)s2)cs1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HPGDS O60760 1/20 0.50
▸ ERN1 O75460 3/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ NPC1 O15118 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RPS6KB2 Q9UBS0 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NR4A2 P43354 1/20 0.40
▸ FTO Q9C0B1 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL29957199 0.78 MEN1 (0.50) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL29951347 0.78 ALAD (0.56) HDAC1
SCHEMBL22068905 0.77 POLB (0.68) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL14156930 0.75 HPGDS (0.59) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL209887 0.73 DAO (0.50) RAB9APOLBMEN1KMT2AERN1
SCHEMBL593023 0.72 MEN1 (0.65) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL29906336 0.72 RAB9A (0.79) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL2552759 0.71 ERN1 (0.51) RAB9AMEN1KMT2AERN1KDM4E
SCHEMBL1761545 0.71 RAB9A (0.92) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL2247613 0.70 HDAC1 (0.69) RAB9APOLBMEN1KMT2AHPGDS

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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