SCHEMBL9871983

SCHEMBL9871983

CC1=C(C(=O)O)C(c2ccc(N(C)C)cc2)N(C)C(=S)N1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 5/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDGFRB P09619 1/20 0.36

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
SCHEMBL9870854 0.86 ALDH1A1 (0.43) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL9869833 0.78 CACNA1F (0.42) ALDH1A1MAPTLMNANPSR1
SCHEMBL9870706 0.75 ALDH1A1 (0.38) ALDH1A1HSD17B10MAPTKMT2AGAA
SCHEMBL9871298 0.74 ATM (0.47) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL9869972 0.72 ATM (0.43) TSHRALDH1A1MAPTMEN1POLB
SCHEMBL9871899 0.71 CACNA1F (0.60) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL9870418 0.69 GAA (0.47) TSHRALDH1A1MAPTMEN1POLB
SCHEMBL9871923 0.68 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ELMNANPSR1
SCHEMBL9475138 0.68 ALDH1A1 (0.53) ALDH1A1HSD17B10MAPTPOLBGAA
SCHEMBL9870085 0.68 GUSB (0.44) ALDH1A1MAPTMEN1KMT2ALMNA

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