Sugi Predict

Sugi Predict / Compounds / SCHEMBL7315185

SCHEMBL7315185

SCHEMBL7315185

O=C(NC(=NCCC(c1ccncc1)c1ccc(F)cc1)NCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ SLC6A9 P48067 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ NAMPT P43490 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
SCHEMBL7304737 0.95 EPHX2 (0.39) EPHX2MAPK10MAPK14NPC1RAB9A
SCHEMBL7312049 0.92 EPHX2 (0.46) EPHX2MAPK10MAPK14HRH2NAMPT
SCHEMBL9865426 0.91 NAMPT (0.38) NAMPT
SCHEMBL7431291 0.90 EPHX2 (0.41) EPHX2NPC1RAB9AHRH2
SCHEMBL7431296 0.90 EPHX2 (0.41) EPHX2NPC1RAB9AHRH2
SCHEMBL9867599 0.87 NPY1R (0.39) NAMPT
SCHEMBL7311277 0.87 CNR1 (0.38) EPHX2SLC6A9NPC1RAB9AHRH2
SCHEMBL9867594 0.86 NPY1R (0.40) —
SCHEMBL9866135 0.85 EPHX2 (0.41) EPHX2NPC1RAB9AHRH2
SCHEMBL9866130 0.85 EPHX2 (0.41) EPHX2NPC1RAB9AHRH2

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-0262448-A1 Imidazolylguanidine derivatives, process for their preparation and medicines containing them HEUMANN PHARMA GMBH & CO (DE) 1988-04-06 — — EP disclosed