SCHEMBL11019173

SCHEMBL11019173

CCCSc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)c(OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39

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
SCHEMBL11019181 0.92 TP53 (0.55) POLBTP53MAPTTDP1NPC1
SCHEMBL11020863 0.90 SMN1; SMN2 (0.44) POLBTP53MAPTTDP1NPC1
SCHEMBL11017897 0.83 PDE4A (0.44) POLBTP53MAPTTDP1NPC1
SCHEMBL11020867 0.83 TP53 (0.51) POLBTP53MAPTTDP1NPC1
SCHEMBL11016885 0.82 CHEK2 (0.53) TP53MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11017086 0.81 DHFR (0.42) POLBTP53MAPTTDP1NPC1
SCHEMBL7279533 0.80 PDE5A (0.45) TP53NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11019019 0.78 HPSE (0.42) POLBTP53MAPTTDP1NPC1
SCHEMBL11018593 0.78 TP53 (0.46) POLBTP53MAPTTDP1NPC1
SCHEMBL14514690 0.77 NPC1 (0.53) POLBTP53MAPTTDP1NPC1

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
Send feedback