SCHEMBL28558754

SCHEMBL28558754

O=S(=O)(c1cccc2oc(-c3ccccc3)nc12)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ ALDH1A1 P00352 7/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 2/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPK1 P28482 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.43

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
SCHEMBL11229501 0.77 RCE1 (0.64) CYP2C9CYP2C19MEN1KMT2AALDH1A1
SCHEMBL17479807 0.73 ALDH1A1 (0.60) CYP2C9CYP2C19TSHRCYP3A4MEN1
SCHEMBL121325 0.69 TOP2A (0.65) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL31684035 0.69 L3MBTL1 (0.74) TSHRMEN1KMT2AALDH1A1GAA
SCHEMBL28868160 0.69 TOP2A (0.47) CYP2C9CYP2C19MEN1KMT2AALDH1A1
SCHEMBL28853377 0.69 SMN1; SMN2 (0.50) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19205947 0.69 MAPT (0.61) CYP2C9CYP2C19TSHRCYP3A4MEN1
SCHEMBL20435689 0.68 CA9 (0.59) CYP2C9CYP2C19TSHRCYP3A4MEN1
SCHEMBL1063351 0.68 KMT2A (1.00) CYP2C9CYP2C19TSHRCYP3A4MEN1
SCHEMBL5422444 0.67 L3MBTL1 (0.76) TSHRMEN1KMT2AALDH1A1GAA

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
CN-107001283-B FLT3 receptor antagonists 国家健康与医学研究院 2021-05-25 — — CN disclosed
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