SCHEMBL16649295

SCHEMBL16649295

COc1ccc([CH]CCC(N)=O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 9/20 0.49
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SNCA P37840 1/20 0.42

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
SCHEMBL16649782 0.87 TUBB1 (0.50) TUBB1LMNAHTTMAPK1RAB9A
SCHEMBL3465192 0.82 ALDH1A1 (0.49) TUBB1LMNAMAPK1RAB9AALDH1A1
SCHEMBL3465918 0.79 SMN1; SMN2 (0.48) MAPK1ALDH1A1TSHRNFE2L2POLB
SCHEMBL16877133 0.78 TUBB1 (0.57) TUBB1LMNAHTTMAPK1RAB9A
SCHEMBL4163430 0.76 ALDH1A1 (0.50) RAB9AALDH1A1POLBKMT2A
SCHEMBL14892303 0.76 HTT (0.54) LMNAHTTMAPK1RAB9AALDH1A1
SCHEMBL7531959 0.76 ALDH1A1 (0.68) TUBB1LMNAHTTMAPK1RAB9A
SCHEMBL29400600 0.76 ALDH1A1 (0.68) TUBB1LMNAHTTMAPK1RAB9A
SCHEMBL435689 0.76 ALDH1A1 (0.68) TUBB1LMNAHTTMAPK1RAB9A
SCHEMBL18975197 0.73 TUBB1 (0.56) TUBB1LMNAHTTMAPK1RAB9A

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-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP claimed
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