SCHEMBL30196043

SCHEMBL30196043

CN(Nc1ccc(C(F)(F)F)cc1N)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
RXRA P19793 2/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
KIF11 P52732 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL29307526 1.00 CFTR (0.47) CFTRKDM4EALDH1A1MEN1KMT2A
SCHEMBL4367290 0.86 CACNA1B (0.42) CFTRMEN1KMT2AMAPTRXRA
SCHEMBL4369944 0.84 CES2 (0.42) CFTRMEN1KMT2AMAPTRXRA
SCHEMBL30291804 0.84 HDAC1 (0.43) AAK1ALOX15
SCHEMBL4365064 0.84 MEN1 (0.44) MEN1KMT2AGAARXRANR1H2
SCHEMBL30196303 0.84 CFTR (0.44) CFTRKDM4EALDH1A1MEN1KMT2A
SCHEMBL29307533 0.84 CFTR (0.44) CFTRKDM4EALDH1A1MEN1KMT2A
SCHEMBL31324581 0.81 MAPT (0.51) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL29307527 0.81 MAPT (0.51) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL30196890 0.80 CFTR (0.42) CFTRKDM4EALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119301100-A Novel 1, 2-diaminobenzimidazole derivatives 卡尔那生物科学株式会社 2025-01-10 CN disclosed
EP-4373811-A1 NOVEL 1,2-DIAMINOBENZIMIDAZOLE DERIVATIVE Carna Biosciences, Inc. (JP) 2024-05-29 EP disclosed
WO-2023002246-A1 NOVEL 1,2-DIAMINOBENZIMIDAZOLE DERIVATIVE CARNA BIOSCIENCES, INC. (JP) 2023-01-26 WO disclosed