SCHEMBL2653190

SCHEMBL2653190

ON=Cc1ccc2nc[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.52
▸ POLB P06746 7/20 0.51
▸ PRKCI P41743 1/20 0.49
▸ MAPT P10636 8/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 6/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PKM P14618 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MMP12 P39900 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ PSMD14 O00487 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL2653189 0.86 KDM4E (0.41) HDAC1POLBPRKCIMAPTTDP1
SCHEMBL2653187 0.86 KDM4E (0.41) HDAC1POLBPRKCIMAPTTDP1
SCHEMBL6600649 0.80 HDAC1 (0.56) HDAC1POLBPRKCIMAPTTDP1
SCHEMBL4236820 0.77 PRKCI (0.53) HDAC1POLBPRKCIMAPTTDP1
SCHEMBL1418704 0.77 HDAC1 (0.56) HDAC1POLBPRKCIMAPTTDP1
SCHEMBL14972936 0.72 IP6K1 (0.63) HDAC1POLBPRKCIMAPTKMT2A
SCHEMBL30050466 0.72 IP6K1 (0.63) HDAC1POLBPRKCIMAPTKMT2A
SCHEMBL10817405 0.72 IP6K1 (0.63) HDAC1POLBPRKCIMAPTKMT2A
SCHEMBL15354273 0.72 PTK6 (0.53) HDAC1POLBPRKCIMAPTTDP1
SCHEMBL4574406 0.71 HDAC1 (0.70) HDAC1POLBPRKCIMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874758-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 — — EP claimed
WO-2006111516-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 — — WO claimed
EP-1874758-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 — — EP disclosed
WO-2006111516-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 — — WO disclosed
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