SCHEMBL9533110

SCHEMBL9533110

OCc1nc2cccc(O)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.41
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 3/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
AURKA O14965 1/20 0.35
GUSB P08236 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4066028 0.84 KDM4E (0.40) ACHENPSR1MAPTGAAKMT2A
SCHEMBL28791191 0.81 TDP1 (0.41) TDP1NPSR1MAPTGAAKMT2A
SCHEMBL10397232 0.81 PARP1 (0.44) MAPTKDM4EPDE10ADDAH1POLB
SCHEMBL31345731 0.80 POLB (0.40) TDP1NPSR1ALDH1A1RAB9ALMNA
SCHEMBL22333123 0.80 TDP1 (0.40) TDP1NPSR1MAPTKMT2AALDH1A1
SCHEMBL25369555 0.80 TDP1 (0.47) TDP1NPSR1MAPTKMT2ARAB9A
SCHEMBL31345698 0.80 TDP1 (0.47) TDP1NPSR1MAPTKMT2ARAB9A
SCHEMBL5204337 0.80 TDP1 (0.40) TDP1NPSR1GAAKMT2AALDH1A1
SCHEMBL3938947 0.80 TDP1 (0.40) TDP1NPSR1MAPTGAAKMT2A
SCHEMBL11195012 0.80 PARP1 (0.43) TDP1MAPTGAAKMT2AALDH1A1

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
EP-0266326-B1 NOVEL DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS Aktiebolaget Hässle (SE) 1993-03-10 EP disclosed
US-5106862-A DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS AKTIEBOLAGET HASSLE (SE) 1992-04-21 US disclosed