SCHEMBL16712554

SCHEMBL16712554

CCCCCc1nc2[nH]ncc2c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
PARP1 P09874 1/20 0.50
GPR84 Q9NQS5 5/20 0.46
PDE5A O76074 1/20 0.45
RECQL P46063 1/20 0.44
XDH P47989 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4C Q9H3R0 1/20 0.43

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
SCHEMBL7887026 0.76 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2PDE5ARECQL
SCHEMBL1586541 0.72 PARP1 (0.91) PARP1RAB9A
SCHEMBL7883156 0.72 PDE9A (0.49) ALDH1A1HTTSMN1; SMN2RECQLNPC1
SCHEMBL4497867 0.71 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2PARP1RECQL
SCHEMBL30176973 0.71 PARP1 (0.89) PARP1
SCHEMBL22857122 0.71 PARP1 (0.89) PARP1
SCHEMBL30176861 0.71 PARP1 (0.89) PARP1
SCHEMBL14621928 0.71 PARP1 (0.89) PARP1
SCHEMBL28598382 0.71 PARP1 (0.89) PARP1
SCHEMBL18284261 0.70 HTT (0.54) ALDH1A1HTTSMN1; SMN2PDE5ARECQL

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-2560962-B1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-05-20 EP disclosed