SCHEMBL11422909

SCHEMBL11422909

COc1ccc(CNC(=S)NNC(=O)C(N)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
PKM P14618 1/20 0.65
ADAMTS5 Q9UNA0 1/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 2/20 0.55
ALOX12 P18054 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
ATM Q13315 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL4575661 0.84 ALDH1A1 (0.61) ALDH1A1PKMKMT2AMEN1NPC1
SCHEMBL29484175 0.81 ALDH1A1 (0.71) ALDH1A1PKMKMT2AMEN1TDP1
SCHEMBL3822991 0.80 ALDH1A1 (1.00) ALDH1A1PKMKMT2AMEN1TDP1
SCHEMBL6211890 0.77 ALDH1A1 (0.80) ALDH1A1PKMKMT2AMEN1TDP1
SCHEMBL4588187 0.77 ALDH1A1 (0.62) ALDH1A1PKMKMT2AMEN1NPC1
SCHEMBL318068 0.77 ALDH1A1 (0.73) ALDH1A1PKMKMT2AMEN1TDP1
SCHEMBL16562180 0.77 ALDH1A1 (0.69) ALDH1A1PKMKMT2AMEN1NPC1
SCHEMBL18894145 0.77 ALDH1A1 (0.73) ALDH1A1PKMADAMTS5KMT2AMEN1
SCHEMBL9177530 0.76 ALDH1A1 (0.71) ALDH1A1PKMKMT2AMEN1TDP1
SCHEMBL20496927 0.76 ALDH1A1 (0.83) ALDH1A1PKMKMT2AMEN1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4183925-A 7-Aminophenylacetamido-Δ3 -cephem antibacterial agents and method of use PFIZER INC. (US) 1980-01-15 US disclosed
US-4144240-A USED FOR MODIFYING CEPHALOSPORINS PFIZER INC. (US) 1979-03-13 US disclosed