SCHEMBL11540783

SCHEMBL11540783

COC(=O)c1cc([N+](=O)[O-])c(Oc2ccc(C)cc2)c(S(N)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.52
ALDH1A1 P00352 6/20 0.50
POLB P06746 4/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MITF O75030 1/20 0.50
CCR6 P51684 1/20 0.50
USP10 Q14694 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
TBXA2R P21731 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL11543280 0.92 VCAM1 (0.53) VCAM1ALDH1A1POLBMAPTLMNA
SCHEMBL11541635 0.90 MAPT (0.55) VCAM1ALDH1A1POLBMAPTLMNA
SCHEMBL574190 0.90 VCAM1 (0.51) VCAM1ALDH1A1POLBMAPTLMNA
SCHEMBL573787 0.90 VCAM1 (0.53) VCAM1ALDH1A1POLBMAPTLMNA
SCHEMBL11540454 0.90 VCAM1 (0.50) VCAM1ALDH1A1POLBMAPTNPSR1
SCHEMBL14881551 0.89 USP10 (0.49) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL11547853 0.89 LMNA (0.52) VCAM1ALDH1A1POLBMAPTLMNA
SCHEMBL11542762 0.82 KDM4E (0.44) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL11543992 0.82 TPMT (0.54) VCAM1ALDH1A1MAPTLMNANPSR1
SCHEMBL14882355 0.80 VCAM1 (0.64) VCAM1ALDH1A1POLBMAPTLMNA

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
US-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 US disclosed
US-4118397-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 US disclosed