SCHEMBL4777040

SCHEMBL4777040

N=C(NC(=O)OCc1ccccc1)c1cc[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.43
CTRB1 P17538 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
P2RX7 Q99572 1/20 0.41
ELANE P08246 1/20 0.41
ROCK2 O75116 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL4726369 0.80 CA12 (0.41) CA12CA1CA2CA9POLB
SCHEMBL27793451 0.78 TDP1 (0.56) POLBLMNARAB9AALDH1A1
SCHEMBL2321117 0.76 LMNA (0.56) CA12CA1CA2CA9POLB
SCHEMBL234454 0.75 LMNA (0.62) CA12CA1CA2CA9POLB
SCHEMBL7975327 0.75 LMNA (0.44) CA12CA1CA2CA9POLB
SCHEMBL8058893 0.74 ALDH1A1 (0.46) POLBLMNASMN1; SMN2ATMCTRB1
SCHEMBL8446295 0.74 SMN1; SMN2 (0.46) POLBLMNASMN1; SMN2ATMCTRB1
SCHEMBL30386641 0.74 ITGB3 (0.43) CA12CA1CA2CA9POLB
SCHEMBL29202480 0.74 ITGB3 (0.43) CA12CA1CA2CA9POLB
SCHEMBL29777624 0.74 POLB (0.56) CA12CA1CA2CA9POLB

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
WO-2008003079-A1 COMPOSITIONS AND METHODS PERTAINING TO GUANYLATION OF PNA OLIGOMERS APPLERA CORPORATION (US) 2008-01-03 WO disclosed