SCHEMBL30823673

SCHEMBL30823673

CCCOc1ccc(S(=O)(=O)N2CCN(CCCO)CC2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.54
APEX1 P27695 1/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
PDE5A O76074 7/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL20568042 1.00 S1PR3 (0.54) S1PR3APEX1KMT2AMAPTMEN1
SCHEMBL6644972 0.94 S1PR3 (0.53) S1PR3APEX1KMT2AMAPTPOLB
SCHEMBL20567823 0.92 KMT2A (0.53) S1PR3APEX1KMT2AMEN1SMN1; SMN2
SCHEMBL6647212 0.91 S1PR3 (0.53) S1PR3APEX1KMT2AMAPTMEN1
SCHEMBL6330574 0.88 KMT2A (0.58) S1PR3APEX1KMT2AMAPTHTT
SCHEMBL6639187 0.85 KMT2A (0.54) APEX1KMT2AMEN1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL6199458 0.84 KMT2A (0.53) APEX1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL6499867 0.84 PDE5A (0.50) KMT2AMAPTMEN1SMN1; SMN2POLB
SCHEMBL20568064 0.82 APEX1 (0.56) S1PR3APEX1KMT2AMAPTMEN1
SCHEMBL6483636 0.82 KMT2A (0.52) S1PR3APEX1KMT2AMEN1SMN1; SMN2

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-118063458-A Novel dual mode of action of soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-05-24 CN disclosed
CN-110621676-B Dual mode of action of soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-02-09 CN disclosed