SCHEMBL11235459

SCHEMBL11235459

CC(=O)c1ccc(CN)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
PRNP P04156 1/20 0.53
RECQL P46063 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
GSK3B P49841 1/20 0.50
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
LOX P28300 6/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL5351604 0.81 ALDH1A1 (0.54) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL1798146 0.81 ALDH1A1 (0.56) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL13162984 0.81 F2 (0.54) ALDH1A1HPGDHTTRAB9ALOX
SCHEMBL7419192 0.81 DAO (0.48) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL16294237 0.80 ALDH1A1 (0.51) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL11631412 0.79 ALDH1A1 (0.57) ALDH1A1LMNAPRNPRECQLRXFP1
Iodide SCHEMBL28974088 0.79 DAO (0.47) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL17065257 0.79 GSK3B (0.60) ALDH1A1LMNAPRNPRECQLRXFP1
Hydrochloric Acid SCHEMBL7422669 0.79 DAO (0.47) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL1977403 0.79 NPSR1 (0.51) ALDH1A1LMNAHPGDTSHRMAPT

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-4341957-A Fluorescent antibody composition for immunofluorometric assay ANALYTICAL RADIATION CORPORATION (US) 1982-07-27 US disclosed
US-4110342-A PENICILLIN AND CEPHALOSPORIN INTERMEDIATES PFIZER INC. (US) 1978-08-29 US disclosed