SCHEMBL28260751

SCHEMBL28260751

Cc1cc(C)cc(OC(N)=S)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
C1S P09871 1/20 0.39
PRSS3 P35030 1/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.37
PARP10 Q53GL7 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 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
SCHEMBL2860052 0.79 LMNA (0.58) ALDH1A1SMN1; SMN2CYP3A4MAPK1TDP1
SCHEMBL11485695 0.76 LMNA (0.52) ALDH1A1SMN1; SMN2PRSS1TDP1MEN1
SCHEMBL2071865 0.76 MEN1 (0.52) ALDH1A1SMN1; SMN2PRSS1PRSS2C1S
Thiourea SCHEMBL28925187 0.76 ALDH1A1 (0.53) ALDH1A1PRSS1PRSS2C1SPRSS3
SCHEMBL8103773 0.71 GAA (0.47) ALDH1A1SMN1; SMN2PRSS1TDP1KMT2A
SCHEMBL30204446 0.71 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2PRSS1PRSS2C1S
SCHEMBL3829975 0.70 MEN1 (0.48) ALDH1A1SMN1; SMN2TSHRCYP3A4MAPK1
SCHEMBL9646002 0.69 CA2 (0.57) ALDH1A1SMN1; SMN2TSHRCYP3A4MAPK1
SCHEMBL5815588 0.69 ALDH1A1 (0.42) ALDH1A1CYP3A4KMT2AHPGD
SCHEMBL593772 0.68 LMNA (0.63) ALDH1A1SMN1; SMN2TSHRCYP3A4MAPK1

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
CN-108976155-A The manufacturing method of isothiocyanates 旭化成株式会社 2018-12-11 CN disclosed