SCHEMBL11018596

SCHEMBL11018596

C#CCOc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c(OCC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.54
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
POLB P06746 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CHEK2 O96017 9/20 0.49
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL11018593 0.92 TP53 (0.46) TP53MAPTTDP1POLBNPC1
SCHEMBL11018206 0.91 CHEK2 (0.61) CHEK2F2F10PLGPLAU
SCHEMBL11019250 0.91 CHEK2 (0.53) TP53MAPTTDP1POLBNPC1
SCHEMBL11018042 0.91 CHEK2 (0.48) TP53MAPTTDP1POLBNPC1
SCHEMBL11017857 0.84 ALDH1A1 (0.46) TP53MAPTTDP1POLBNPC1
SCHEMBL11018199 0.84 CHEK2 (0.51) CHEK2F2F10PLGPLAU
SCHEMBL11019245 0.83 CHEK2 (0.44) TP53MAPTTDP1POLBNPC1
SCHEMBL11018034 0.83 RHEB (0.39) TP53MAPTTDP1POLBNPC1
SCHEMBL11020242 0.83 CHEK2 (0.58) CHEK2
SCHEMBL11018770 0.83 KDM4E (0.47) TP53MAPTTDP1POLBL3MBTL1

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
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 EP disclosed