SCHEMBL27740202

SCHEMBL27740202

O=C(O)Cc1ccc(CI)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.62
CAMK2A Q9UQM7 1/20 0.62
AKR1B1 P15121 1/20 0.61
LMNA P02545 2/20 0.58
GAA P10253 2/20 0.58
TSHR P16473 2/20 0.58
ABCC4 O15439 1/20 0.58
PTGS1 P23219 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
FFAR1 O14842 1/20 0.52
POLB P06746 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
NSD2 O96028 1/20 0.50
GRK2 P25098 1/20 0.50
CASP6 P55212 1/20 0.50
CTDSP1 Q9GZU7 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
SCHEMBL69614 0.87 CA2 (0.79) CA2CAMK2AAKR1B1LMNAGAA
Hydrochloric Acid SCHEMBL25180348 0.84 CA2 (0.75) CA2CAMK2AAKR1B1LMNAGAA
Hydrochloric Acid SCHEMBL6765874 0.84 CA2 (0.75) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL11108897 0.83 ALDH1A1 (0.61) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL2642144 0.82 CA2 (0.65) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL29674759 0.80 CA2 (0.62) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL166723 0.80 CA2 (0.62) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL18427891 0.79 LMNA (0.86) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL68027 0.79 LMNA (0.86) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL2996429 0.79 CA2 (0.68) CA2CAMK2AAKR1B1LMNAGAA

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
CN-101437397-A Nucleotide and oligonucleotide prodrugs SPRING BANK (US) 2009-05-20 CN disclosed