SCHEMBL2424618

SCHEMBL2424618

O=C(N1CCCCC1)n1[c]ncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
P2RX4 Q99571 2/20 0.33
AKR1C3 P42330 1/20 0.33
HTT P42858 1/20 0.33
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BCHE P06276 1/20 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
SCHEMBL2425807 0.69 TSHR (0.42) ALDH1A1HPGDLMNA
SCHEMBL5648212 0.68 FAAH (0.54) ALDH1A1CA2CHKAPOLBKMT2A
SCHEMBL5270457 0.67
SCHEMBL3947407 0.67 ALDH1A1 (0.93) ALDH1A1CA2CHKAPOLBKMT2A
SCHEMBL3948090 0.67 ALDH1A1 (0.93) ALDH1A1CA2CHKAPOLBKMT2A
SCHEMBL733597 0.67 ALDH1A1 (0.93) ALDH1A1CA2CHKAPOLBKMT2A
SCHEMBL3948862 0.67 ALDH1A1 (0.93) ALDH1A1CA2CHKAPOLBKMT2A
SCHEMBL2323473 0.67 ALDH1A1 (0.93) ALDH1A1CA2CHKAPOLBKMT2A
SCHEMBL3947402 0.67 ALDH1A1 (0.93) ALDH1A1CA2CHKAPOLBKMT2A
SCHEMBL3948084 0.67 ALDH1A1 (0.93) ALDH1A1CA2CHKAPOLBKMT2A

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-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 EP disclosed