SCHEMBL7740422

SCHEMBL7740422

CC(C)(C)OC(=O)NCc1cc(NC(N)=S)ccc1-n1cccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NAMPT P43490 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
CCKBR P32239 1/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPKAPK2 P49137 2/20 0.36

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
SCHEMBL7740426 0.84 PDK1 (0.40) SYKNAMPTPDK1PDK2PDK3
SCHEMBL7740478 0.83 SYK (0.37) SYKALDH1A1MEN1MAPTKMT2A
SCHEMBL7740424 0.83 MEN1 (0.36) SYKALDH1A1MEN1MAPTKMT2A
SCHEMBL7738864 0.80 SYK (0.35) SYKALDH1A1MEN1MAPTKMT2A
SCHEMBL7740420 0.78 SYK (0.37) SYKALDH1A1MEN1MAPTKMT2A
SCHEMBL7740427 0.77 NOS1 (0.38) SYK
SCHEMBL7247258 0.76 ALDH1A1 (0.56) ALDH1A1KMT2ALMNAGAAMAPKAPK2
SCHEMBL6677097 0.74 ALDH1A1 (0.46) ALDH1A1MAPTNAMPTGAAMAPKAPK2
SCHEMBL22044738 0.74 NAMPT (0.44) SYKALDH1A1MEN1MAPTKMT2A
SCHEMBL6675952 0.73 CYP2C9 (0.45) SYKALDH1A1MAPTLMNANAMPT

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-6414005-B1 BRAIN DISORDERS; ALZHEIMER'S DISEASE; PARKINSON'S DISEASE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-02 US disclosed
EP-1043312-A1 HETEROCYCLIC COMPOUNDS HAVING NOS INHIBITORY ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-10-11 EP disclosed