SCHEMBL8980599

SCHEMBL8980599

O=C1c2ccccc2OCN1CCS

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
PKM P14618 3/20 0.41
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
MAOB P27338 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP19A1 P11511 1/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL6947117 0.84 TSHR (0.41) TSHRPKMPRMT5WDR77MAOB
SCHEMBL8639215 0.84 TSHR (0.41) TSHRPKMPRMT5WDR77MAOB
SCHEMBL13438368 0.81 TSHR (0.39) TSHRPKMPRMT5WDR77MAOB
SCHEMBL8578943 0.81 PRMT5 (0.39) TSHRPKMPRMT5WDR77KDM4E
SCHEMBL13063351 0.80 PKM (0.38) TSHRPKMPRMT5WDR77
SCHEMBL7386417 0.80 ALDH1A1 (0.46) TSHRKDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL9173037 0.79 HTR7 (0.37) TSHRPKM
SCHEMBL8980569 0.79 TDP1 (0.41) TSHRPKMPRMT5WDR77KDM4E
SCHEMBL9809901 0.78 ACHE (0.46) MAOBKDM4EHTTKMT2ASMN1; SMN2
SCHEMBL8980560 0.78 PKM (0.36) TSHRPKMPRMT5WDR77MAOB

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
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed