SCHEMBL11549552

SCHEMBL11549552

CCCCCCNC(=O)c1cn[c]c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
CNR1 P21554 1/20 0.48
KDM4E B2RXH2 2/20 0.46
MLYCD O95822 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA2 P00918 1/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 1/20 0.43
P2RX7 Q99572 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL11548043 0.80 NAAA (0.60) NAAAL3MBTL1THRATHRBKDM4E
SCHEMBL11147008 0.77 CNR1 (0.60) NAAAL3MBTL1CNR1KDM4EMLYCD
SCHEMBL7968360 0.76 NAAA (0.56) NAAAL3MBTL1CNR1KDM4ESMN1; SMN2
SCHEMBL9979011 0.76 NAAA (0.71) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL9979317 0.76 NAAA (0.71) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL19326796 0.76 NAAA (0.71) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL6437809 0.76 NAAA (0.71) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL9978782 0.76 NAAA (0.71) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL1978767 0.76 NAAA (0.71) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL1977288 0.76 NAAA (0.71) NAAAL3MBTL1THRATHRBMLYCD

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-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed