SCHEMBL9666256

SCHEMBL9666256

NC(=S)Oc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
AGXT P21549 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 1/20 0.48
MAPK1 P28482 2/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
CYP51A1 Q16850 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL1839631 0.79 KMT2A (0.63) TDP1MAPTKMT2AMEN1L3MBTL1
SCHEMBL31141860 0.79 TDP1 (0.52) TDP1MAPTKMT2AMEN1L3MBTL1
SCHEMBL1403191 0.79 TDP1 (0.52) TDP1MAPTKMT2AMEN1L3MBTL1
SCHEMBL2463525 0.78 TDP1 (0.55) TDP1MAPTKMT2AMEN1L3MBTL1
SCHEMBL30226651 0.75 KMT2A (0.61) TDP1MAPTKMT2AMEN1L3MBTL1
SCHEMBL3038674 0.75 TSHR (0.41) TDP1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL2784281 0.75 TSHR (0.41) TDP1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL14108352 0.75 CYP1A2 (0.48) TDP1MAPTKMT2AMEN1L3MBTL1
SCHEMBL28349081 0.75 TDP1 (0.47) TDP1MAPTKMT2AMEN1L3MBTL1
SCHEMBL21881869 0.74 KMT2A (0.66) TDP1MAPTKMT2AMEN1L3MBTL1

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-0341754-B1 USE OF CARBAMATE OR THIOCARBAMATE DERIVATIVES FOR TREATMENT OF FUNGAL INFECTIONS Tosoh Corporation (JP) 1992-12-09 EP disclosed