SCHEMBL21437350

SCHEMBL21437350

O=C(O)Nc1ccc2c(c1)nc(NC(=O)O)n2CCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.65
▸ EHMT1 Q9H9B1 1/20 0.65
▸ TSSK1B Q9BXA7 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ ITK Q08881 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43

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
SCHEMBL21437408 0.87 BACE1 (0.53) EHMT2EHMT1TSSK1BKMT2AHDAC1
SCHEMBL25302284 0.79 EHMT2 (1.00) EHMT2EHMT1LMNAKMT2ANPSR1
SCHEMBL17915519 0.76 EHMT2 (0.83) EHMT2EHMT1LMNAKMT2ANPSR1
SCHEMBL26451957 0.76 EHMT2 (0.50) EHMT2EHMT1TSSK1BITKCYP2C9
SCHEMBL16569005 0.76 EHMT2 (1.00) EHMT2EHMT1LMNAKMT2ANPSR1
SCHEMBL29349799 0.76 EHMT2 (1.00) EHMT2EHMT1LMNAKMT2ANPSR1
SCHEMBL26451963 0.75 BACE1 (0.52) EHMT2EHMT1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL21437380 0.75 EHMT2 (0.58) EHMT2EHMT1TP53HSD17B10HDAC1
Hydrochloric Acid SCHEMBL28512158 0.75 EHMT2 (0.56) EHMT2EHMT1LMNAKMT2ANPSR1
SCHEMBL16463988 0.74 EHMT2 (0.77) EHMT2EHMT1KDM4EHDAC1HDAC8

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