SCHEMBL8466650

SCHEMBL8466650

CCOC(=O)c1cccc(-c2ccccc2C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GALR1 P47211 1/20 0.46
HTT P42858 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
CTSA P10619 1/20 0.45

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
SCHEMBL20530677 0.87 TP53 (0.46) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL20530663 0.85 MAPT (0.47) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7823524 0.85 RAB9A (0.48) NPC1MAPTRAB9APOLB
SCHEMBL7575014 0.84 KDM4E (0.47) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL20530634 0.84 NPC1 (0.47) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL28329380 0.83 ALDH1A1 (0.44) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30418797 0.83 GRM5 (0.53) ALDH1A1NPC1MAPTRAB9AHPGD
SCHEMBL7571121 0.83 KDM4E (0.50) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7570097 0.82 JMJD6 (0.48) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7571031 0.82 MAPT (0.49) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2

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-5964919-A STABILIZING THE ACTIVE ZINC BY SUSPENDING IN A CONTAINER WITH AN SOLVENT SELECT FROM ETHER, HYDROCARBON, AROMATIC HYDROCARABON OR APROTIC SOLVENT UNDER INERT GAS, SEALING THE CONTAINER BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1999-10-12 US disclosed
US-5756653-A REACTING A REDUCING AGENT ON A ZINC SALT BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1998-05-26 US disclosed
US-5358546-A Reacting a zinc compound with a reducting agent BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1994-10-25 US disclosed
WO-1993015086-A1 HIGHLY REACTIVE FORMS OF ZINC AND REAGENTS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-08-05 WO disclosed