SCHEMBL11397629

SCHEMBL11397629

COC(=O)c1cc([N+](=O)[O-])c(Sc2ccccc2)c(S(=O)(=O)n2cccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.46
▸ MAPT P10636 7/20 0.46
▸ GAA P10253 2/20 0.46
▸ VCAM1 P19320 1/20 0.46
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2883320 0.85 MAPT (0.49) MAPTGAAVCAM1HTTLMNA
SCHEMBL11396073 0.83 FBP1 (0.47) FBP1MAPTGAALMNAMEN1
SCHEMBL11390793 0.80 FBP1 (0.44) FBP1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11388406 0.79 FBP1 (0.50) FBP1MAPTGAAVCAM1LMNA
SCHEMBL11543240 0.79 MAPT (0.43) MAPTGAAVCAM1HTTLMNA
SCHEMBL21437398 0.79 MAPT (0.43) MAPTGAAVCAM1HTTLMNA
SCHEMBL11397185 0.78 CA1 (0.42) FBP1LMNAALDH1A1HPGDKDM4E
SCHEMBL2879281 0.72 MAPT (0.48) MAPTGAAHTTLMNASMN1; SMN2
SCHEMBL11511421 0.70 ALDH1A1 (0.43) MAPTGAAVCAM1HTTLMNA
SCHEMBL11549637 0.68 KDM4E (0.50) MAPTGAALMNAMEN1KMT2A

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
US-4288449-A DIURETICS BASF AKTIENGESELLSCHAFT (DE) 1981-09-08 — — US disclosed
Send feedback