SCHEMBL13618139

SCHEMBL13618139

NC(=O)c1cc(NC2CC2)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ROCK2 O75116 1/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SYK P43405 5/20 0.42

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
SCHEMBL89147 0.85 POLB (0.60) P2RX7MAPTKDM4ENPC1POLB
SCHEMBL89901 0.81 MEN1 (0.56) P2RX7MAPTKDM4EPOLBHPGD
SCHEMBL3868858 0.78 MAPT (0.73) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL14432792 0.76 KDM4E (0.51) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL8265233 0.75 ALDH1A1 (0.50) MAPTKDM4EPOLBROCK2ALDH1A1
SCHEMBL18835454 0.75 MEN1 (0.52) P2RX7MAPTKDM4ENPC1POLB
SCHEMBL13254952 0.75 SMN1; SMN2 (0.53) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL8264452 0.74 TP53 (0.43) P2RX7MAPTKDM4ENPC1POLB
SCHEMBL89928 0.74 HPGD (0.61) P2RX7MAPTKDM4ECA1CA2
SCHEMBL19676843 0.73 MAPT (0.49) MAPTKDM4ENPC1POLBRAB9A

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-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed