SCHEMBL9870764

SCHEMBL9870764

CCN1C(=S)NC(C)=C(C(=O)O)C1c1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
CACNA1F O60840 5/20 0.44
CACNA1D Q01668 5/20 0.44
CACNA1S Q13698 5/20 0.44
CACNA1C Q13936 5/20 0.44
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 5/20 0.36
P2RX7 Q99572 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9870308 0.86 POLB (0.37) POLBCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9871923 0.77 ALDH1A1 (0.54) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL9869503 0.76 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL6950055 0.74 POLB (0.49) POLBALOX15TP53MAPTALDH1A1
SCHEMBL9870929 0.73 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CCA1
SCHEMBL9870085 0.72 GUSB (0.44) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL9871999 0.70 ALDH1A1 (0.47) CACNA1FCACNA1DCACNA1SCACNA1CTP53
SCHEMBL9476788 0.70 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CTP53
SCHEMBL9869835 0.70 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9475571 0.68 CACNA1F (0.65) CACNA1FCACNA1DCACNA1SCACNA1CTP53

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-5071849-A Antiinflammatory, antianginal agent EGIS GYOGYSZERGYAR (HU) 1991-12-10 US disclosed