SCHEMBL20580906

SCHEMBL20580906

O=[N+]([O-])c1c[c]c2[nH]c3ccccc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.54
CTSL P07711 1/20 0.54
PARP1 P09874 2/20 0.50
IDO1 P14902 3/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46

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
SCHEMBL631957 0.86 PARP1 (0.55) CTSVCTSLPARP1GABRA1GABRG2
SCHEMBL30272742 0.77 CTSV (0.79) CTSVCTSLPARP1GABRPGABRD
SCHEMBL30272741 0.77 CTSV (0.79) CTSVCTSLPARP1GABRPGABRD
SCHEMBL30272743 0.77 CTSV (0.79) CTSVCTSLPARP1GABRPGABRD
SCHEMBL151534 0.77 CTSV (0.79) CTSVCTSLPARP1GABRPGABRD
SCHEMBL698660 0.76 ALDH1A1 (0.48) CTSVCTSLPARP1MEN1KMT2A
Carbazole SCHEMBL27552113 0.76 CTSV (0.67) CTSVCTSLPARP1IDO1GABRP
Carbazole SCHEMBL28060913 0.74 ALDH1A1 (0.64) CTSVCTSLPARP1IDO1GABRP
SCHEMBL6008321 0.73 CTSV (0.69) CTSVCTSLPARP1IDO1GABRP
SCHEMBL13387769 0.73 KIF11 (0.58) PARP1MAPTMEN1KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10808059-B2 Polymer CANON KABUSHIKI KAISHA (JP) 2020-10-20 US disclosed
US-20180355086-A1 POLYMER CANON KABUSHIKI KAISHA (JP) 2018-12-13 US disclosed