SCHEMBL9733754

SCHEMBL9733754

CCOC(=O)c1nnc(Cc2ccccc2F)n1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 6/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 3/20 0.41
ESR2 Q92731 1/20 0.41
SLC26A6 Q9BXS9 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 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
SCHEMBL9733899 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBL3MBTL1KMT2A
SCHEMBL9733669 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1KMT2ANPC1
SCHEMBL9733462 0.81 GAA (0.48) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL17610978 0.76 GABRA2 (0.46) ALDH1A1KDM4EPOLBKMT2ANPC1
SCHEMBL16796453 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBKMT2ANPC1
SCHEMBL17324405 0.74 KMT2A (0.50) ALDH1A1KDM4EPOLBL3MBTL1KMT2A
SCHEMBL9734269 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBL3MBTL1KMT2A
SCHEMBL3587879 0.72 GUCY1A1 (0.52) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL20140279 0.72 KMT2A (0.39) ALDH1A1KDM4EPOLBL3MBTL1KMT2A
SCHEMBL23153544 0.71 RAB9A (0.51) ALDH1A1KDM4EL3MBTL1KMT2ANPC1

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
US-5098922-A Anticonvulsants CIBA-GEIGY CORPORATION (US) 1992-03-24 US disclosed
US-5045556-A Aralkyl-4H-1,2,4-triazole derivatives CIBA-GEIGY CORPORATION (US) 1991-09-03 US disclosed