SCHEMBL15941191

SCHEMBL15941191

COC(=O)CCC(=O)Nc1cc(Br)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.56
▸ RIOK2 Q9BVS4 1/20 0.51
▸ EGFR P00533 1/20 0.50
▸ ERBB3 P21860 1/20 0.50
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ PTPRC P08575 1/20 0.45
▸ PTPN13 Q12923 1/20 0.45
▸ TSHR P16473 1/20 0.43

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
SCHEMBL15910524 0.83 L3MBTL1 (0.56) HPGDRIOK2NPC1RAB9AHTT
SCHEMBL1555088 0.82 HPGD (0.54) HPGDRIOK2EGFRNPC1RAB9A
SCHEMBL15940876 0.82 NPC1 (0.45) HPGDRIOK2NPC1RAB9AHTT
SCHEMBL15948100 0.81 NPC1 (0.44) HPGDNPC1RAB9AHTTL3MBTL1
SCHEMBL15910526 0.81 HTT (0.47) HPGDNPC1RAB9AHTTL3MBTL1
SCHEMBL1554419 0.80 RIOK2 (0.57) RIOK2EGFRNPC1RAB9AL3MBTL1
SCHEMBL15940757 0.80 NPC1 (0.44) HPGDNPC1RAB9AHTTL3MBTL1
SCHEMBL25130701 0.79 RIOK2 (0.53) RIOK2EGFRNPC1RAB9AL3MBTL1
SCHEMBL28710197 0.79 RIOK2 (0.53) RIOK2EGFRNPC1RAB9AMEN1
SCHEMBL29083759 0.79 TSHR (0.69) RIOK2L3MBTL1MEN1KMT2AALDH1A1

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-2014122065-A1 2-AMINOPYRIDINE DERIVATIVES AS PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-14 — — WO disclosed
WO-2014122065-A1 2-AMINOPYRIDINE DERIVATIVES AS PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-14 — — WO disclosed
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