SCHEMBL8933041

SCHEMBL8933041

CN(C)C(=S)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 2/20 0.42
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
LTA4H P09960 1/20 0.39
NPC1 O15118 1/20 0.39
ABHD6 Q9BV23 1/20 0.39

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
SCHEMBL7781426 0.88 MAPT (0.46) MAPTLMNASMN1; SMN2HTTKMT2A
SCHEMBL29993506 0.85 LHCGR (0.41) LSSMAPTLMNASMN1; SMN2HTT
SCHEMBL4297139 0.85 SMN1; SMN2 (0.49) MAPTLMNASMN1; SMN2HTTKMT2A
SCHEMBL2463727 0.84 LMNA (0.59) LSSMAPTLMNASMN1; SMN2HTT
SCHEMBL12020270 0.80 LTA4H (0.52) LMNAHTTCYP1A2CYP2C9CYP2C19
SCHEMBL11167581 0.79 RAB9A (0.49) MAPTLMNASMN1; SMN2HTTKMT2A
SCHEMBL6788776 0.79 ALDH1A1 (0.49) ALDH1A1
SCHEMBL11659788 0.78 MAPT (0.50) MAPTLMNASMN1; SMN2HTTKMT2A
SCHEMBL30738654 0.77 RAB9A (0.73) LMNASMN1; SMN2KMT2AALDH1A1PKM
SCHEMBL5155573 0.76 RAB9A (0.43) MAPTLMNASMN1; SMN2HTTKMT2A

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
WO-1996025936-A1 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1996-08-29 WO disclosed