SCHEMBL5873772

SCHEMBL5873772

O=C1Nc2ccc3ncccc3c2C1=CNc1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
NPC1 O15118 5/20 0.43
GAA P10253 5/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.39
IDE P14735 1/20 0.39
BLM P54132 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TLK2 Q86UE8 3/20 0.38
CAMKK2 Q96RR4 1/20 0.37
PIM1 P11309 1/20 0.37
KDM4E B2RXH2 3/20 0.36
CHEK1 O14757 1/20 0.36
PDE4B Q07343 1/20 0.36
MITF O75030 1/20 0.35

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
SCHEMBL5873767 1.00 RAB9A (0.43) RAB9AMEN1KMT2ANPC1GAA
SCHEMBL5873873 0.94 RAB9A (0.39) RAB9AMEN1KMT2ANPC1GAA
SCHEMBL5873878 0.94 RAB9A (0.39) RAB9AMEN1KMT2ANPC1GAA
SCHEMBL5427494 0.92 DHODH (0.38) RAB9AMEN1KMT2ANPC1GAA
SCHEMBL5427502 0.92 DHODH (0.38) RAB9AMEN1KMT2ANPC1GAA
SCHEMBL5873967 0.92 DHODH (0.38) RAB9AMEN1KMT2ANPC1GAA
SCHEMBL5873895 0.91 CAMKK2 (0.38) RAB9AMEN1KMT2ANPC1GAA
SCHEMBL5873900 0.91 CAMKK2 (0.38) RAB9AMEN1KMT2ANPC1GAA
SCHEMBL5873914 0.89 ALOX15 (0.42) RAB9AMEN1KMT2ANPC1MAPK1
SCHEMBL5873910 0.89 ALOX15 (0.42) RAB9AMEN1KMT2ANPC1MAPK1

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
US-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US disclosed