SCHEMBL7629259

SCHEMBL7629259

CN(C)S(=O)(=O)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ TP53 P04637 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41

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
SCHEMBL5730432 0.88 MEN1 (0.47) MEN1KMT2ATP53RXFP1ALDH1A1
SCHEMBL27691865 0.76 MEN1 (0.53) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL27673007 0.74 MEN1 (0.48) MEN1KMT2ATP53RXFP1SMN1; SMN2
SCHEMBL14581574 0.72 MEN1 (0.52) MEN1KMT2ATP53RXFP1ALDH1A1
SCHEMBL29557960 0.72 PBRM1 (0.52) MEN1KMT2ATP53RXFP1ALDH1A1
SCHEMBL15415994 0.72 PBRM1 (0.52) MEN1KMT2ATP53RXFP1ALDH1A1
SCHEMBL27148809 0.71 SLC22A6 (0.50) MEN1KMT2ATP53RXFP1ALDH1A1
SCHEMBL5729731 0.70 POLB (0.52) MEN1KMT2ASMN1; SMN2HTR2ANR4A2
SCHEMBL3224553 0.70 MPO (0.49) MEN1KMT2ASMN1; SMN2KDM4ETSHR
Dimethylformamide SCHEMBL27597593 0.70 SLC22A6 (0.46) MEN1KMT2AALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-86104611-A The preparation method of therapeutical agent — 1988-01-27 — — CN claimed
EP-0206616-A2 Quinolones having antihypertensive activity The Boots Company PLC (GB) 1986-12-30 — — EP claimed
US-6451813-B1 Treatment of gastroparesis in certain patient groups R. T. ALAMO VENTURES I, LLC 2002-09-17 — — US disclosed
CN-86104611-A The preparation method of therapeutical agent — 1988-01-27 — — CN disclosed
CN-86104611-A The preparation method of therapeutical agent — 1988-01-27 — — CN disclosed
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