SCHEMBL22071735

SCHEMBL22071735

Cc1cc2nc(C(=O)NCCN(C)C)c(=O)n(OS(C)(=O)=O)c2cc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ POLR1A O95602 2/20 0.36
▸ ECE1 P42892 1/20 0.36
▸ MUS81 Q96NY9 1/20 0.36
▸ ATM Q13315 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ACSS2 Q9NR19 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CA2 P00918 2/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL22072095 0.88 POLB (0.40) POLBMAPTHTTSMN1; SMN2POLR1A
SCHEMBL22072087 0.82 POLB (0.43) POLBMAPTHTTSMN1; SMN2POLR1A
SCHEMBL22071741 0.82 POLB (0.54) POLBMAPTHTTSMN1; SMN2POLR1A
SCHEMBL22072305 0.75 BRD4 (0.36) POLBMAPTHTTKDM4E
SCHEMBL22071697 0.73 MEN1 (0.42) POLBMAPTHTTSMN1; SMN2CYP2D6
SCHEMBL22071696 0.73 KDM4E (0.40) POLBMAPTHTTSMN1; SMN2CYP2D6
SCHEMBL22071728 0.73 MEN1 (0.50) POLBMAPTHTTSMN1; SMN2CYP2D6
SCHEMBL22072088 0.72 POLB (0.38) POLBMAPTHTTSMN1; SMN2POLR1A
SCHEMBL22071727 0.72 MEN1 (0.41) POLBMAPTHTTSMN1; SMN2CYP2D6
SCHEMBL22071736 0.72 KMT2A (0.41) MAPTSMN1; SMN2ATMALDH1A1KDM4E

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
WO-2020117974-A1 COMPOUNDS AND COMPOSITIONS FOR EYE TREATMENTS AVEDRO, INC. (US) 2020-06-11 — — WO disclosed
Send feedback