SCHEMBL20386014

SCHEMBL20386014

CCSc1c(C)ccc(C(=O)Nc2nnnn2C)c1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 2/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 6/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 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
SCHEMBL17397904 0.87 POLB (0.53) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL17410733 0.85 POLB (0.47) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL24781707 0.84 POLB (0.44) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL17410738 0.84 POLB (0.50) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL24781116 0.83 POLB (0.43) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL24781521 0.83 POLB (0.43) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL18779295 0.82 POLB (0.59) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL20386012 0.81 POLB (0.49) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL17410543 0.79 POLB (0.50) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL22231015 0.79 POLB (0.47) POLBCYP1A2CYP2C19CYP2C9HPGD

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
EP-3160947-B1 HERBICIDAL N-(1-METHYLTETRAZOL-5-YL) BENZOIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed