SCHEMBL5873878

SCHEMBL5873878

O=C1Nc2ccc3ncccc3c2C1=CNc1ccc(Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 3/20 0.39
MAPK1 P28482 1/20 0.39
PIN1 Q13526 3/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
IDE P14735 1/20 0.36
BLM P54132 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ERBB2 P04626 1/20 0.34
TLK2 Q86UE8 2/20 0.34

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
SCHEMBL5873873 1.00 RAB9A (0.39) RAB9AMAPTMEN1NPC1KMT2A
SCHEMBL5873772 0.94 RAB9A (0.43) RAB9AMAPTMEN1NPC1KMT2A
SCHEMBL5873767 0.94 RAB9A (0.43) RAB9AMAPTMEN1NPC1KMT2A
SCHEMBL5873984 0.93 AKR1C3 (0.40) RAB9AALDH1A1TLK2GRIN2DGRIN3B
SCHEMBL5873982 0.93 AKR1C3 (0.40) RAB9AALDH1A1TLK2GRIN2DGRIN3B
SCHEMBL5430431 0.91 ERBB2 (0.42) RAB9AMAPTMEN1NPC1KMT2A
SCHEMBL5873697 0.91 ERBB2 (0.42) RAB9AMAPTMEN1NPC1KMT2A
SCHEMBL5430428 0.91 ERBB2 (0.42) RAB9AMAPTMEN1NPC1KMT2A
SCHEMBL5182473 0.91 PSEN1 (0.39) RAB9AMAPTMEN1NPC1KMT2A
SCHEMBL5182480 0.91 PSEN1 (0.39) RAB9AMAPTMEN1NPC1KMT2A

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 4 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-6498176-B1 INHIBITING TUMOR GROWTH VIA INHIBITION OF TUMOR-RELATED ANGIOGENESIS SMITHKLINEBEECHAM CORPORATION 2002-12-24 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