Sugi Predict

Sugi Predict / Compounds / SCHEMBL20037514

SCHEMBL20037514

SCHEMBL20037514

O[C@H]1CCN(c2ccc(I)nn2)CC12CC2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ OGA O60502 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KLF5 Q13887 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL20037525 1.00 LMNA (0.34) LMNAHTTOGANPC1RAB9A
SCHEMBL20037511 1.00 LMNA (0.34) LMNAHTTOGANPC1RAB9A
SCHEMBL20038277 0.84 OGA (0.36) LMNAHTTOGANPC1RAB9A
SCHEMBL20255518 0.83 LMNA (0.34) LMNAHTTOGAMEN1KMT2A
SCHEMBL20249429 0.80 LCAT (0.33) LMNAHTTNPC1RAB9AKLF5
SCHEMBL20249444 0.80 LCAT (0.33) LMNAHTTNPC1RAB9AKLF5
SCHEMBL20249446 0.80 LCAT (0.33) LMNAHTTNPC1RAB9AKLF5
SCHEMBL3826525 0.77 LMNA (0.43) LMNAHTTOGANPC1RAB9A
SCHEMBL20038000 0.74 CHRNB2 (0.38) LMNAHTTOGA
SCHEMBL20038224 0.74 CHRNB2 (0.38) LMNAHTTOGA

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-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 — — EP disclosed