SCHEMBL20158924

SCHEMBL20158924

C=C/C=C(\C)N1CCN(C(=O)c2cc(C)cn2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.40
▸ TP53 P04637 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL26831785 0.75 HRH3 (0.51) ARHRH3LMNA
SCHEMBL25844914 0.72 AR (0.41) ARHRH3TP53LMNAKMT2A
SCHEMBL26831781 0.71 AR (0.43) ARTP53LMNA
SCHEMBL13287985 0.68 AR (0.35) AR
SCHEMBL21301425 0.68 CYP1A2 (0.50) LMNA
SCHEMBL21727617 0.64 — —
SCHEMBL3674837 0.64 TDP1 (0.46) ARMEN1KMT2A
SCHEMBL4476856 0.64 AR (0.47) ARHRH3TP53LMNAMEN1
SCHEMBL2796432 0.64 POLB (0.49) ARHRH3TP53LMNAMEN1
SCHEMBL25060325 0.63 ALDH1A1 (0.37) TP53LMNA

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
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
Send feedback