SCHEMBL10470696

SCHEMBL10470696

CNC(=S)C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PLIN1 O60240 2/20 0.48
LMNA P02545 2/20 0.48
RECQL P46063 2/20 0.48
PLIN5 Q00G26 2/20 0.48
ABHD5 Q8WTS1 2/20 0.48
TNKS O95271 1/20 0.48

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
SCHEMBL10470695 1.00 TDP1 (0.50) TDP1GLAMAPTALDH1A1GAA
SCHEMBL3073560 0.83 HDAC2 (0.57) TDP1GLAMAPTALDH1A1GAA
SCHEMBL4684531 0.78 MMP1 (0.61) MAPTALDH1A1GAAHTTHDAC3
SCHEMBL4684535 0.78 MMP1 (0.61) MAPTALDH1A1GAAHTTHDAC3
SCHEMBL13825834 0.77 TDP1 (0.52) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL31326778 0.76 GLA (0.61) TDP1GLAMAPTALDH1A1GAA
SCHEMBL8036556 0.75 ALDH1A1 (0.51) TDP1GLAMAPTALDH1A1GAA
SCHEMBL13170487 0.75 ALDH1A1 (0.51) TDP1GLAMAPTALDH1A1GAA
SCHEMBL975354 0.75 HDAC2 (0.70) TDP1GLAMAPTALDH1A1HTT
Benzene SCHEMBL28260359 0.75 HDAC2 (0.70) TDP1GLAMAPTALDH1A1HTT

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
US-4963275-A POLYOLEFIN MODIFIED BY AN UNSATURATED ANHYDRIDE, THE REACTION PRODUCT OF A POLYAMINE AND ACRYLIC COMPOUND AND A LACTONE OR POLYLACTONE; OIL ADDITIVES EXXON CHEMICAL PATENTS INC. (US) 1990-10-16 US disclosed