SCHEMBL14629072

SCHEMBL14629072

NSc1cccccc[nH]c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31

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
SCHEMBL113757 0.74
Benzene SCHEMBL27817281 0.74 SMN1; SMN2 (0.53) MAPTHPGDSMN1; SMN2MGLLHSD17B10
Fluoride SCHEMBL14677416 0.72 SMN1; SMN2 (0.50) MAPTHPGDSMN1; SMN2MGLLHSD17B10
Hydrochloric Acid SCHEMBL27533715 0.72
SCHEMBL11245508 0.72 SMN1; SMN2 (0.50) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL8943068 0.70 MAOA (0.40) MAPTHPGDSMN1; SMN2MGLLHSD17B10
Ethane SCHEMBL11553570 0.69 SMN1; SMN2 (0.47) MAPTHPGDSMN1; SMN2MGLLHSD17B10
Phenol SCHEMBL28851578 0.64 CA12 (0.58) MAPTHPGDSMN1; SMN2MGLLHSD17B10
Aniline SCHEMBL7770539 0.62 TSHR (0.65) MAPTSMN1; SMN2HSD17B10MAOAMAOB
SCHEMBL14616136 0.62 TSHR (0.50) HPGDMAOAMAOBALDH1A1

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
EP-1398027-B1 Use of matrix metalloproteinase inhibitors for treating or preventing glomerulopathy SHIONOGI & CO (JP) 2007-01-10 EP disclosed