SCHEMBL30196890

SCHEMBL30196890

CCCCOC(=O)N(C)Nc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
PDE4D Q08499 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
FAAH O00519 2/20 0.37

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
SCHEMBL30196334 0.83 MAPT (0.48) LMNACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL30196043 0.80 CFTR (0.47) CFTRALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL29307526 0.80 CFTR (0.47) CFTRALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL29307533 0.72 CFTR (0.44) CFTRLMNACYP1A2CYP2C9CYP2C19
SCHEMBL30196303 0.72 CFTR (0.44) CFTRLMNACYP1A2CYP2C9CYP2C19
SCHEMBL11336820 0.70 ALDH1A1 (0.61) CFTRLMNACYP3A4TSHRALDH1A1
SCHEMBL7191685 0.69 L3MBTL1 (0.49) CFTRLMNAALDH1A1KDM4EMAPT
SCHEMBL7191668 0.69 PTGER4 (0.49) CFTRLMNACYP1A2CYP2C9CYP2C19
SCHEMBL10352025 0.68 L3MBTL1 (0.62) CFTRLMNACYP1A2CYP2C9CYP2C19
SCHEMBL6788941 0.68 ESR1 (0.66) LMNACYP1A2CYP2C9CYP2C19CYP3A4

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-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