SCHEMBL10387019

SCHEMBL10387019

C=CC(C(=O)C(C=C)c1cccnc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CFTR P13569 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ GOPC Q9HD26 1/20 0.44
▸ TBXAS1 P24557 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KCNA5 P22460 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ KCNN4 O15554 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ APP P05067 1/20 0.40
▸ HCAR3 P49019 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL28945095 0.88 SMN1; SMN2 (0.49) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL1335927 0.77 CYP1A2 (0.47) LMNAL3MBTL1KDM4EMAPTMAPK1
SCHEMBL29461836 0.76 SMN1; SMN2 (0.55) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4432372 0.76 SMN1; SMN2 (0.55) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2697214 0.75 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL28522739 0.73 SMN1; SMN2 (0.45) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL5468474 0.73 TBXAS1 (0.44) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9488242 0.73 CFTR (0.46) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL13573640 0.72 CFTR (0.48) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9312689 0.72 CFTR (0.48) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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
US-4895950-A 5-halogeno-6-amino-nicotinic acid halides BAYER AKTIENGESELLSCHAFT (DE) 1990-01-23 — — US disclosed
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