SCHEMBL9870085

SCHEMBL9870085

CCN1C(=S)NC(C)=C(C(=O)O)C1c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR1 P21554 1/20 0.39
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
ATM Q13315 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
KIF11 P52732 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
SCHEMBL9871923 0.88 ALDH1A1 (0.54) GUSBALDH1A1CA1CA2LMNA
SCHEMBL9871999 0.85 ALDH1A1 (0.47) GUSBALDH1A1CA1CA2LMNA
SCHEMBL9869503 0.81 CACNA1F (0.44) ALDH1A1CA1CA2LMNAMAPT
SCHEMBL9871252 0.76 CACNA1F (0.47) ALDH1A1LMNAMAPTNPSR1KMT2A
SCHEMBL9869835 0.75 CACNA1F (0.68) GUSBALDH1A1LMNAMEN1KMT2A
SCHEMBL9870929 0.73 CACNA1F (0.40) GUSBALDH1A1CA1CA2CACNA1F
SCHEMBL9870739 0.73 ALDH1A1 (0.36) ALDH1A1CA1CA2LMNAMAPT
SCHEMBL9870764 0.72 POLB (0.45) ALDH1A1CA1CA2LMNAMAPT
SCHEMBL9870854 0.71 ALDH1A1 (0.43) ALDH1A1CA1CA2LMNAMAPT
SCHEMBL9870211 0.70 ALDH1A1 (0.53) GUSBALDH1A1CA1CA2LMNA

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