SCHEMBL11218202

SCHEMBL11218202

[NH]C(=O)CSc1ccc(Cl)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ANPEP P15144 1/20 0.34
KMO O15229 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL11216037 0.87 FABP4 (0.41) TDP1RAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL11218670 0.84 DAO (0.43) TDP1ANPEPRAB9AKMT2ASMN1; SMN2
SCHEMBL11218207 0.83 SMN1; SMN2 (0.50) TDP1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL8174576 0.83 PKM (0.47) TDP1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL11211574 0.77 ALDH1A1 (0.41) KMT2ALMNAMAPTPPARDPOLB
SCHEMBL11212864 0.74 ALDH1A1 (0.50) TDP1RAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL11218295 0.74 KMT2A (0.54) RAB9AKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL11212188 0.72 APEX1 (0.45) KMT2ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL11208284 0.72 POLB (0.43) TDP1ANPEPCA1CA2CA7
SCHEMBL11524991 0.71 FABP4 (0.52) RAB9APPARDALDH1A1FABP4KDM4E

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-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed