SCHEMBL2801615

SCHEMBL2801615

Cl[Au]=c1n(C2CCCCC2)ccn1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.32
PI4K2B Q8TCG2 2/20 0.32
PI4K2A Q9BTU6 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
ADORA2A P29274 1/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HCAR1 Q9BXC0 3/20 0.30

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
SCHEMBL16340906 0.77 MEN1 (0.32) ALDH1A1KMT2A
SCHEMBL22188650 0.76 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL20489211 0.70 SLC18A3 (0.32) PI4KAPI4K2BPI4K2API4KBADORA2A
Hydrochloric Acid SCHEMBL2801612 0.68 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KBADORA2A
Hydrochloric Acid SCHEMBL2801614 0.68 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KBADORA2A
Benzene SCHEMBL29077790 0.67 SLC18A3 (0.42) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL20603062 0.67 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL4226383 0.65 SLC18A3 (0.32) PI4KAPI4K2BPI4K2API4KBADORA2A
Carbon Monoxide SCHEMBL8152719 0.65 ALDH1A1 (0.34) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL4228172 0.63 ALDH1A1 (0.32) PI4KAPI4K2BPI4K2API4KBADORA2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767841-B1 Gold complexes for catalysIS and preparation thereof UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION, INC. (US) 2010-08-03 US disclosed