Sugi Predict

Sugi Predict / Compounds / SCHEMBL7304737

SCHEMBL7304737

SCHEMBL7304737

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HRH2 P25021 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ MAPK14 Q16539 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
SCHEMBL7315185 0.95 EPHX2 (0.40) EPHX2NPC1RAB9AHRH2NAMPT
SCHEMBL7431291 0.95 EPHX2 (0.41) EPHX2NPC1RAB9AHRH2
SCHEMBL7431296 0.95 EPHX2 (0.41) EPHX2NPC1RAB9AHRH2
SCHEMBL7312049 0.94 EPHX2 (0.46) EPHX2HRH2POLBNAMPTMAPK10
SCHEMBL9865426 0.93 NAMPT (0.38) NAMPT
SCHEMBL7311277 0.91 CNR1 (0.38) EPHX2NPC1RAB9AHRH2
SCHEMBL9866130 0.90 EPHX2 (0.41) EPHX2NPC1RAB9AHRH2
SCHEMBL9866135 0.90 EPHX2 (0.41) EPHX2NPC1RAB9AHRH2
SCHEMBL9867599 0.89 NPY1R (0.39) NAMPT
SCHEMBL9866144 0.88 EPHX2 (0.43) EPHX2HRH2

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