SCHEMBL9112231

SCHEMBL9112231

NC(=NCCC(c1ccccc1)c1ccccc1)c1ccc2[nH]c(Cc3nc4cc(C(N)=NCCC(c5ccccc5)c5ccccc5)ccc4[nH]3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.46
F2 P00734 3/20 0.46
F7 P08709 2/20 0.46
TPSAB1 Q15661 3/20 0.41
PRSS1 P07477 2/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
GAA P10253 3/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
PKM P14618 2/20 0.36
TSHR P16473 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9023819 0.82 F10 (0.48) F10F2F7TPSAB1PRSS1
SCHEMBL9023629 0.79 F10 (0.50) F10F2F7TPSAB1PRSS1
SCHEMBL9112515 0.75 F10 (0.46) F10F2F7TPSAB1PRSS1
SCHEMBL7405323 0.72 F10 (0.56) F10F2F7TPSAB1PRSS1
SCHEMBL9040720 0.71 F10 (0.45) F10F2F7TPSAB1PRSS1
SCHEMBL7069837 0.71 ALDH1A1 (0.47) TPSAB1PKMMAPT
SCHEMBL9113833 0.71 F10 (0.47) F10F2F7TPSAB1PRSS1
SCHEMBL9112360 0.71 KDM4E (0.46) F10F2F7TPSAB1PRSS1
SCHEMBL9028427 0.71 F10 (0.48) F10F2F7TPSAB1PRSS1
SCHEMBL9236738 0.71 KDM4E (0.46) F10F2F7TPSAB1PRSS1

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-1995008540-A1 BIS(AMIDINOBENZIMIDAZOLYL)ALKANES AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-30 WO disclosed