SCHEMBL3237160

SCHEMBL3237160

CNC(=O)C(C)(C)Oc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ PPARA Q07869 7/20 0.46
▸ CYP1A2 P05177 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ PPARD Q03181 2/20 0.43
▸ PPARG P37231 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL4429153 0.84 MEN1 (0.49) MAPTMEN1KMT2APPARACYP1A2
SCHEMBL20133460 0.82 PPARA (0.46) MAPTMEN1KMT2APPARACYP1A2
SCHEMBL30901955 0.82 CNR1 (0.47) MAPTMEN1KMT2APPARACYP1A2
SCHEMBL1811683 0.80 KMT2A (0.54) MAPTMEN1KMT2ANPSR1PPARA
SCHEMBL1811163 0.79 PPARA (0.67) MAPTMEN1KMT2ANPSR1PPARA
SCHEMBL15912487 0.79 KMT2A (0.48) MAPTMEN1KMT2ANPSR1PPARA
SCHEMBL3233909 0.78 KMT2A (0.47) MAPTMEN1KMT2ANPSR1PPARA
SCHEMBL3573347 0.78 PPARA (0.50) MAPTMEN1KMT2ANPSR1PPARA
SCHEMBL12438632 0.78 MAPT (0.44) MAPTMEN1KMT2ANPSR1PPARA
SCHEMBL19696240 0.77 CYP3A4 (0.50) MAPTMEN1KMT2APPARACYP1A2

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-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 — — WO disclosed
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