SCHEMBL9049960

SCHEMBL9049960

COC(=O)Nc1ccccc1Sc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.64
▸ TDP1 Q9NUW8 3/20 0.64
▸ ALDH1A1 P00352 7/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ BLM P54132 1/20 0.60
▸ L3MBTL1 Q9Y468 8/20 0.60
▸ LMNA P02545 3/20 0.59
▸ HPGD P15428 2/20 0.59
▸ ATM Q13315 2/20 0.59
▸ GLA P06280 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ POLB P06746 1/20 0.52

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
SCHEMBL11104241 0.89 MAPT (0.51) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL9028 0.84 TDP1 (0.60) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL4654049 0.82 TDP1 (0.72) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL2546392 0.78 L3MBTL1 (0.61) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL28173861 0.78 TDP1 (0.54) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL28896841 0.78 TDP1 (1.00) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL11659356 0.78 HPGD (0.64) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL19712980 0.77 ALDH1A1 (0.50) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL13846441 0.76 TDP1 (0.59) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL11034598 0.76 CYP3A4 (0.60) MAPTTDP1ALDH1A1KMT2AMEN1

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-0747355-A1 NOVEL CARBAMATE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-11 — — EP disclosed
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