SCHEMBL8526155

SCHEMBL8526155

CCP(=S)(CC)C(=NOCCc1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE5A O76074 1/20 0.34
GAA P10253 2/20 0.33
ALOX12 P18054 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL8528950 0.91 NPC1 (0.39) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL8526643 0.78 GABRA5 (0.41) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8527297 0.76 ALDH1A1 (0.39) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL8683544 0.71 MAPT (0.44) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL10542977 0.71 MAPT (0.44) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL8626419 0.71 MAPT (0.44) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL11063821 0.71 MAPT (0.38) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL38663127 0.71 MAPT (0.41) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL2786880 0.71 TP53 (0.59) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL11091142 0.70 PDE5A (0.46) LMNAMAPTALDH1A1MEN1KMT2A

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-0620228-B1 Novel reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same LUCKY LTD (KR) 1998-03-11 EP claimed