Sugi Predict

Sugi Predict / Compounds / SCHEMBL7448622

SCHEMBL7448622

SCHEMBL7448622

O[C@@H]1CCOc2c(OC(F)F)cc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.42
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL16396399 0.73 MAP3K14 (0.49) MAP3K14
SCHEMBL7448616 0.70 MEN1 (0.33) MEN1LMNAMAPTHTTKMT2A
SCHEMBL5402643 0.68 MAOB (0.34) MEN1LMNAMAPTHTTKMT2A
SCHEMBL5407585 0.68 PDE4B (0.31) MEN1LMNAMAPTHTTKMT2A
SCHEMBL5477746 0.66 MAP3K14 (0.35) MAP3K14
SCHEMBL5399566 0.65 MEN1 (0.36) MEN1LMNAMAPTHTTKMT2A
SCHEMBL24345594 0.64 MAP3K14 (0.45) MAP3K14
SCHEMBL29457640 0.64 MAP3K14 (0.42) MAP3K14KMT2A
SCHEMBL24345592 0.64 MAP3K14 (0.42) MAP3K14KMT2A
SCHEMBL26650607 0.64 HTR2A (0.35) MEN1LMNAMAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140820-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2001-10-10 — — EP disclosed
WO-2000035869-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2000-06-22 — — WO disclosed