SCHEMBL9870308

SCHEMBL9870308

CCN1C(=S)NC(c2ccccc2)=C(C(=O)O)C1c1c(F)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CACNA1F O60840 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9870764 0.86 POLB (0.45) POLBP2RX7ALDH1A1CACNA1FCACNA1D
SCHEMBL9871923 0.65 ALDH1A1 (0.54) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6950055 0.64 POLB (0.49) POLBALDH1A1ALOX15LMNAMAPT
SCHEMBL9869503 0.62 CACNA1F (0.44) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL21838219 0.58 KDM4E (0.39) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL24595128 0.57 P2RX7 (0.35) POLBP2RX7ALDH1A1ALOX15MAPT
SCHEMBL8210401 0.57 ADORA3 (0.49) POLBALDH1A1CACNA1DLMNAMAPT
SCHEMBL12425035 0.57 PBRM1 (0.41) LMNAMEN1KMT2ASMARCA2SMARCA4
SCHEMBL4652874 0.56 TTR (0.59)
SCHEMBL28266538 0.55 CYP2A6 (0.44) LMNAFABP3FABP4MEN1MAPK1

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