SCHEMBL29634065

SCHEMBL29634065

O=C(O)CS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c2ccccc2c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.65
▸ STAT3 P40763 1/20 0.65
▸ MCL1 Q07820 13/20 0.53
▸ HKDC1 Q2TB90 7/20 0.53
▸ BCL2 P10415 5/20 0.52
▸ BCL2L1 Q07817 5/20 0.52
▸ BCL2A1 Q16548 4/20 0.52
▸ BCL2L2 Q92843 4/20 0.52
▸ HK1 P19367 3/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ KEAP1 Q14145 5/20 0.51
▸ NFE2L2 Q16236 5/20 0.51
▸ POLB P06746 4/20 0.51
▸ BLM P54132 3/20 0.51
▸ CFTR P13569 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ GOPC Q9HD26 3/20 0.51
▸ TDP2 O95551 3/20 0.51
▸ NSD2 O96028 3/20 0.51

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
SCHEMBL28711122 1.00 EP300 (0.65) EP300STAT3MCL1HKDC1BCL2
SCHEMBL1428457 0.79 EP300 (1.00) EP300STAT3MCL1HKDC1BCL2
SCHEMBL2241702 0.79 BCL2A1 (0.66) MCL1HKDC1BCL2BCL2L1BCL2A1
SCHEMBL13509804 0.73 STAT3 (0.73) EP300STAT3MCL1MEN1KMT2A
SCHEMBL588908 0.71 HKDC1 (0.60) EP300MCL1HKDC1BCL2BCL2L1
SCHEMBL13780715 0.71 EP300 (0.70) EP300STAT3MCL1HKDC1BCL2
SCHEMBL10823344 0.71 EP300 (0.50) EP300STAT3MCL1HKDC1BCL2
SCHEMBL7196466 0.70 KMT2A (0.75) MCL1MEN1KMT2APOLBALDH1A1
SCHEMBL2241344 0.69 MCL1 (1.00) EP300STAT3MCL1HKDC1BCL2
SCHEMBL13510461 0.69 EP300 (0.71) EP300STAT3MCL1HKDC1BCL2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206329-A Combination therapy methods, compositions and kits 阿库尔疗法公司 2022-03-18 — — CN claimed
CN-114206329-A Combination therapy methods, compositions and kits 阿库尔疗法公司 2022-03-18 — — CN disclosed
Send feedback