SCHEMBL16512871

SCHEMBL16512871

N#Cc1ccc2c(C3=CCCCC3)n(-c3ccccc3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.38
▸ G6PD P11413 2/20 0.34
▸ SLC5A1 P13866 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ SLC2A2 P11168 1/20 0.32

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
SCHEMBL16512632 0.82 TDP1 (0.36) ELANESLC5A1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16498279 0.80 CHEK1 (0.44) ELANESLC5A1POLBGAAMAPT
SCHEMBL16498629 0.72 ESR2 (0.47) G6PDSMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL17111868 0.72 GAA (0.46) G6PDSMN1; SMN2ALDH1A1KDM4EGLA
SCHEMBL16498355 0.71 CFTR (0.37) SLC5A1SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL16498847 0.70 MAPT (0.36) SLC5A1SMN1; SMN2KDM4EMAPTCHEK1
SCHEMBL16512790 0.70 SLC5A1 (0.35) SLC5A1NPSR1ALDH1A1KDM4EMAPT
SCHEMBL16498371 0.68 TP53 (0.41) POLBSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL16512866 0.68 PTGER1 (0.46) ELANESLC5A1SMN1; SMN2ALDH1A1GRM2
SCHEMBL16498268 0.68 KMT2A (0.42) POLBSMN1; SMN2ALDH1A1KDM4EGAA

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-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO disclosed
Send feedback