SCHEMBL6830494

SCHEMBL6830494

Cc1cccc2ccc(O)nc12.Oc1ncc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.35
METAP2 P50579 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
STAT3 P40763 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
NFKB1 P19838 1/20 0.34
RECQL P46063 1/20 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
SCHEMBL3080873 0.81 METAP2 (0.48) ALDH1A1ATMCYP1A2METAP2GAA
SCHEMBL31235102 0.78 KDM4E (0.46) MAPTALDH1A1CYP1A2KDM4EGAA
SCHEMBL163312 0.78 KDM4E (0.46) MAPTALDH1A1CYP1A2KDM4EGAA
SCHEMBL28762595 0.76 KDM4E (0.45) MAPTALDH1A1CYP1A2KDM4EGAA
Hydrochloric Acid SCHEMBL27927852 0.76 KDM4E (0.45) MAPTALDH1A1CYP1A2KDM4EGAA
Hypophosphorous Acid SCHEMBL1654733 0.70 KDM4E (0.39) MAPTALDH1A1CYP1A2KDM4EGAA
Phosphonic Acid SCHEMBL4070174 0.70 KDM4E (0.39) MAPTALDH1A1CYP1A2KDM4EGAA
SCHEMBL28317952 0.70 CYP2A6 (0.39) MAPTSMN1; SMN2ALDH1A1ATML3MBTL1
SCHEMBL1148051 0.70 ADORA3 (0.42) MAPTALDH1A1ATMCYP1A2KDM4E
SCHEMBL2478552 0.68 NCF1 (0.50) MAPTSMN1; SMN2ALDH1A1L3MBTL1CYP1A2

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
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed