SCHEMBL11870366

SCHEMBL11870366

COC(=O)Nc1nc2cc(Sc3ccc(Cl)cc3)ccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.66
CYP1A2 P05177 5/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
NR1I2 O75469 1/20 0.66
MAPK14 Q16539 1/20 0.66
HIF1A Q16665 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CYP2C19 P33261 1/20 0.55
MAPK1 P28482 3/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TP53 P04637 1/20 0.53
KCNH2 Q12809 1/20 0.53
KDR P35968 4/20 0.51
TEK Q02763 2/20 0.51
MMP1 P03956 1/20 0.50
ALDH1A1 P00352 2/20 0.46
ABCC4 O15439 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL11881074 0.90 LMNA (0.65) LMNACYP1A2MEN1KMT2ANR1I2
Fenbendazole SCHEMBL31547327 0.89 LMNA (0.82) LMNACYP1A2MEN1KMT2ANR1I2
Fenbendazole SCHEMBL166352 0.89 LMNA (0.82) LMNACYP1A2MEN1KMT2ANR1I2
Fenbendazole SCHEMBL31547342 0.89 LMNA (0.82) LMNACYP1A2MEN1KMT2ANR1I2
Fenbendazole SCHEMBL3988034 0.89 LMNA (0.82) LMNACYP1A2MEN1KMT2ANR1I2
SCHEMBL30596374 0.89 LMNA (0.58) LMNACYP1A2MEN1KMT2ANR1I2
SCHEMBL24359553 0.88 LMNA (0.66) LMNACYP1A2MEN1KMT2ANR1I2
SCHEMBL14375419 0.88 LMNA (0.66) LMNACYP1A2MEN1KMT2ANR1I2
Fenbendazole SCHEMBL28228589 0.88 LMNA (0.80) LMNACYP1A2MEN1KMT2ANR1I2
SCHEMBL11879658 0.88 LMNA (0.66) LMNACYP1A2MEN1KMT2ANR1I2

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-3965113-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1976-06-22 US disclosed