SCHEMBL2150010

SCHEMBL2150010

CC1(C)OB(c2ccc(OCCCCNC(=O)O)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.47
AAK1 Q2M2I8 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
DGAT1 O75907 2/20 0.40

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
SCHEMBL1561011 0.96 HIF1A (0.47) HIF1AAAK1CA1CA2CA9
SCHEMBL16468330 0.92 HIF1A (0.48) HIF1AAAK1CA1CA2CA9
SCHEMBL12224621 0.87 HIF1A (0.45) HIF1AAAK1L3MBTL1RECQLLIPG
SCHEMBL20061080 0.84 AAK1 (0.46) HIF1AAAK1CA1CA2CA9
SCHEMBL2151494 0.84 AAK1 (0.59) HIF1AAAK1CA1CA2CA9
SCHEMBL25405585 0.82 LPL (0.53) HIF1AAAK1CA1CA2CA9
SCHEMBL428836 0.82 LPL (0.53) HIF1AAAK1CA1CA2CA9
SCHEMBL428838 0.82 LPL (0.53) HIF1AAAK1CA1CA2CA9
SCHEMBL430495 0.82 LPL (0.53) HIF1AAAK1CA1CA2CA9
SCHEMBL22816055 0.82 MTNR1A (0.58) HIF1AAAK1CA1CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774804-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES Novartis AG (CH) 2021-02-17 EP disclosed
WO-2019186343-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES NOVARTIS AG (CH) 2019-10-03 WO disclosed
WO-2011091086-A1 NOVEL REAGENTS FOR DIRECTED BIOMARKER SIGNAL AMPLIFICATION SIRIGEN INC. (US) 2011-07-28 WO disclosed