SCHEMBL3235286

SCHEMBL3235286

COC(=O)C(c1ccc(Br)cc1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
ADRB2 P07550 1/20 0.46
AAK1 Q2M2I8 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 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
SCHEMBL28867171 0.86 ADRB2 (0.62) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL1242029 0.85 ALDH1A1 (0.71) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL3236859 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL13117142 0.75 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL10112780 0.73 MEN1 (0.48) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL8009796 0.72 LMNA (0.68) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL15063358 0.72 ALDH1A1 (0.73) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL24723410 0.72 MGLL (0.49) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL1927517 0.72 LTA4H (0.49) ALDH1A1TSHRL3MBTL1OPRM1KDM4E
SCHEMBL1927983 0.72 LTA4H (0.49) ALDH1A1TSHRL3MBTL1OPRM1KDM4E

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