SCHEMBL26029271

SCHEMBL26029271

IOC(c1ccccc1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.57
GOPC Q9HD26 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
KCNA5 P22460 6/20 0.46
KCNN4 O15554 2/20 0.46
KDM4E B2RXH2 1/20 0.46
FAAH O00519 1/20 0.43
KCNH2 Q12809 2/20 0.42
CYP19A1 P11511 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL791869 0.81 CFTR (0.57) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL27748512 0.77 CFTR (0.52) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL18513674 0.74 CFTR (0.48) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL27687109 0.74 SMN1; SMN2 (0.50) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL28063974 0.74 SMN1; SMN2 (0.50) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL28178916 0.74 SMN1; SMN2 (0.50) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL792191 0.74 CFTR (0.52) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL6476580 0.73 SLC6A2 (1.00) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL3889005 0.73 CFTR (0.68) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL10967670 0.72 CFTR (0.46) CFTRGOPCSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4230621-A1 SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer AG (DE) 2023-08-23 EP disclosed