Sugi Predict

Sugi Predict / Compounds / SCHEMBL27862736

SCHEMBL27862736

SCHEMBL27862736

COc1cccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 17/20 0.57
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ GAA P10253 1/20 0.50

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
SCHEMBL12219398 0.87 CFTR (0.59) CFTRNPC1RAB9AKMT2AGAA
SCHEMBL1014057 0.87 CFTR (0.57) CFTR
SCHEMBL12219093 0.86 CFTR (0.65) CFTRNPC1RAB9AKMT2AGAA
SCHEMBL1014783 0.84 CFTR (0.53) CFTRNPC1RAB9A
SCHEMBL12188939 0.84 CFTR (0.60) CFTR
SCHEMBL12188916 0.84 CFTR (0.58) CFTR
SCHEMBL12218340 0.83 CFTR (0.57) CFTRNPC1RAB9AKMT2AGAA
SCHEMBL12217318 0.83 CFTR (0.56) CFTRNPC1RAB9AKMT2AGAA
SCHEMBL12218605 0.83 CFTR (0.56) CFTRNPC1RAB9AKMT2AGAA
SCHEMBL12217385 0.82 CFTR (0.55) CFTRNPC1RAB9AKMT2AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102245573-B Heteroaryl derivatives as cftr modulators VERTEX PHARMA 2013-11-20 — — CN disclosed
CN-103382201-A Heteroaryl derivatives as cftr modulators VERTEX PHARMA 2013-11-06 — — CN disclosed
CN-102245573-A Heteroaryl derivatives as cftr modulators VERTEX PHARMA 2011-11-16 — — CN disclosed