SCHEMBL4757022

SCHEMBL4757022

Cc1ccc(S(=O)(=O)O)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEP1B Q16820 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
CASP6 P55212 1/20 0.39
ELAVL1 Q15717 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
MPL P40238 1/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37

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
Hydrochloric Acid SCHEMBL28127516 0.98 HCRTR1 (0.39) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL8641388 0.83 GAA (0.39) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL11686796 0.83 GAA (0.41) HCRTR1HCRTR2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28295364 0.82 GAA (0.38) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL11529208 0.81 CA2 (0.50) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL15478494 0.81 L3MBTL1 (0.44) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL8959215 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL31645086 0.79 TRPV4 (0.39) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL2927021 0.79 TRPV4 (0.39) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL31357037 0.78 ALOX15 (0.44) MEN1KMT2AALDH1A1MAPTTDP1

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-107614052-B Ultrasonic urinary bladder drug delivery 文斯卡医疗有限公司 2021-06-15 CN disclosed
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed
US-4618611-A 1-(aminoalkoxyphenyl)-1-phenyl-propanols, process for their preparation and pharmaceutical compositions containing them RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1986-10-21 US disclosed
EP-0012240-B1 PROCESS FOR MANUFACTURING OF OPTIONALLY SUBSTITUTED BENZALDEHYD-DIALKYL ACETALS BAYER AG (DE) 1982-01-20 EP disclosed
EP-0012240-A2 Process for manufacturing of optionally substituted benzaldehyd-dialkyl acetals BAYER AG (DE) 1980-06-25 EP disclosed