SCHEMBL21437355

SCHEMBL21437355

CCCCCCCCCCC(=O)Nc1ccc2c(c1)nc(N)n2CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.53
▸ TLR8 Q9NR97 4/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ EHMT2 Q96KQ7 2/20 0.46
▸ EHMT1 Q9H9B1 1/20 0.46
▸ PLAU P00749 1/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ TLR7 Q9NYK1 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
SCHEMBL21437313 1.00 BACE1 (0.53) BACE1TLR8NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28524052 0.99 BACE1 (0.52) BACE1TLR8NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL21438782 0.99 BACE1 (0.52) BACE1TLR8NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL21437184 0.99 BACE1 (0.52) BACE1TLR8NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL21437330 0.99 BACE1 (0.52) BACE1TLR8NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28525259 0.99 BACE1 (0.52) BACE1TLR8NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL21437376 0.99 BACE1 (0.52) BACE1TLR8NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28518967 0.99 BACE1 (0.52) BACE1TLR8NPC1RAB9ASMN1; SMN2
SCHEMBL26451911 0.88 NPC1 (0.52) BACE1NPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL21437413 0.86 EHMT2 (0.55) TLR8EHMT2EHMT1

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-3774740-A2 SUBSTITUTED 2-AMINOBENZIMIDAZOLES ANALOGS AS ANTIBIOFILM AGENTS Ohio State Innovation Foundation (US) 2021-02-17 — — EP disclosed
WO-2019195493-A2 SUBSTITUTED 2-AMINOBENZIMIDAZOLES ANALOGS AS ANTIBIOFILM AGENTS OHIO STATE INNOVATION FOUNDATION (US) 2019-10-10 — — WO disclosed
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