SCHEMBL22072087

SCHEMBL22072087

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ POLR1A O95602 2/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ MUS81 Q96NY9 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ACSS2 Q9NR19 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ AOX1 Q06278 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 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
SCHEMBL22071741 0.88 POLB (0.54) POLBHTTSMN1; SMN2MAPTPOLR1A
SCHEMBL22072095 0.83 POLB (0.40) POLBHTTSMN1; SMN2MAPTPOLR1A
SCHEMBL22071735 0.82 POLB (0.39) POLBHTTSMN1; SMN2MAPTPOLR1A
SCHEMBL22071696 0.81 KDM4E (0.40) POLBHTTSMN1; SMN2MAPTPOLR1A
SCHEMBL22071697 0.81 MEN1 (0.42) POLBHTTSMN1; SMN2MAPTPOLR1A
SCHEMBL22071728 0.81 MEN1 (0.50) POLBHTTSMN1; SMN2MAPTPOLR1A
SCHEMBL22071695 0.80 KDM4E (0.39) POLBHTTSMN1; SMN2MAPTPOLR1A
SCHEMBL22071727 0.80 MEN1 (0.41) POLBHTTSMN1; SMN2MAPTPOLR1A
SCHEMBL22072088 0.78 POLB (0.38) POLBHTTSMN1; SMN2MAPTPOLR1A
SCHEMBL22072146 0.75 ALDH1A1 (0.46) POLBHTTSMN1; SMN2MAPTKDM4E

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
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