SCHEMBL21437408

SCHEMBL21437408

Nc1nc2cc(NC(=O)O)ccc2n1CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.53
▸ EHMT2 Q96KQ7 2/20 0.53
▸ EHMT1 Q9H9B1 1/20 0.53
▸ CXCR4 P61073 1/20 0.46
▸ TSSK1B Q9BXA7 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ TLR8 Q9NR97 2/20 0.44
▸ NUDT1 P36639 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ASAH1 Q13510 1/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ OPRL1 P41146 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL21437350 0.87 EHMT2 (0.65) EHMT2EHMT1TSSK1BHDAC1HDAC8
SCHEMBL26451963 0.87 BACE1 (0.52) BACE1EHMT2EHMT1NUDT1KMT2A
Hydrochloric Acid SCHEMBL28512158 0.86 EHMT2 (0.56) EHMT2EHMT1KMT2AMAPT
Hydrochloric Acid SCHEMBL21437380 0.86 EHMT2 (0.58) BACE1EHMT2EHMT1HDAC1HDAC8
SCHEMBL21450774 0.86 EHMT2 (0.53) BACE1EHMT2EHMT1HDAC1HDAC8
SCHEMBL26451964 0.86 EHMT2 (0.48) BACE1EHMT2EHMT1TSSK1BKMT2A
SCHEMBL21450755 0.86 BACE1 (0.54) BACE1EHMT2EHMT1HDAC1HDAC8
Hydrochloric Acid SCHEMBL21437392 0.86 BACE1 (0.52) BACE1EHMT2EHMT1NUDT1KMT2A
Hydrochloric Acid SCHEMBL21437388 0.85 EHMT2 (0.52) BACE1EHMT2EHMT1HDAC1HDAC8
SCHEMBL21437313 0.85 BACE1 (0.53) BACE1EHMT2EHMT1TLR8KMT2A

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
Send feedback