SCHEMBL4570682

SCHEMBL4570682

Cc1ccc(/N=N/c2ccc(OC=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
STAT3 P40763 1/20 0.46
STAT1 P42224 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
ELANE P08246 1/20 0.39
ACHE P22303 1/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL95902 0.87 ACHE (0.48) MAPTSMN1; SMN2TDP1L3MBTL1ACHE
SCHEMBL28837871 0.85 ACHE (0.46) MAPTSMN1; SMN2TDP1L3MBTL1ACHE
SCHEMBL21242468 0.83 ELANE (0.37) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL521733 0.82 ALDH1A1 (0.50) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL3791384 0.82 ALDH1A1 (0.50) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL4570686 0.81 ACHE (0.42) NPC1RAB9ATDP1ACHEKMT2A
SCHEMBL18805146 0.81 TEAD4 (0.52) MAPTSMN1; SMN2TDP1L3MBTL1ACHE
SCHEMBL15929961 0.80 TDP1 (0.56) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL21242220 0.80 HDAC1 (0.36) MAPTNPC1RAB9ASMN1; SMN2ELANE
SCHEMBL25677973 0.80 KMT2A (0.48) MAPTNPC1RAB9AMAPK1ELANE

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
US-8940392-B2 Titanium based inorganic-organic hybrid solid material, method for preparing same and uses thereof UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2015-01-27 US disclosed
US-20120121904-A1 TITANIUM BASED INORGANIC-ORGANIC HYBRID SOLID MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF L'UNIVERSITE PIERRE ET MARIE CURIE, (PARIS 6) (FR) 2012-05-17 US disclosed