SCHEMBL6151731

SCHEMBL6151731

[Fe]C1=C(c2ccccc2)C(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.32
BACE1 P56817 1/20 0.31
MAPK1 P28482 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL14663755 0.76 KMT2A (0.42) ALDH1A1KMT2ABACE1MAPK1PDE4B
SCHEMBL9506721 0.76 KMT2A (0.42) ALDH1A1KMT2ABACE1MAPK1PDE4B
Hydrochloric Acid SCHEMBL3372047 0.72 ALDH1A1 (0.32) ALDH1A1KMT2ABACE1MAPK1PDE4B
Hydrochloric Acid SCHEMBL3372048 0.72 ALDH1A1 (0.32) ALDH1A1KMT2ABACE1MAPK1PDE4B
SCHEMBL8191410 0.65 BACE1 (0.44) ALDH1A1KMT2ABACE1MAPK1
SCHEMBL532970 0.63 ALDH1A1 (0.67) ALDH1A1KMT2ABACE1MAPK1PDE4B
SCHEMBL852224 0.63 ALDH1A1 (0.67) ALDH1A1KMT2ABACE1MAPK1PDE4B
SCHEMBL532969 0.63 ALDH1A1 (0.67) ALDH1A1KMT2ABACE1MAPK1PDE4B
SCHEMBL31497105 0.63 ALDH1A1 (0.47) ALDH1A1BACE1MAPK1
SCHEMBL170839 0.62 ALDH1A1 (0.39) ALDH1A1KMT2ABACE1MAPK1

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-6936384-B2 Infrared-sensitive composition containing a metallocene derivative KODAK POLYCHROME GRAPHICS LLC (US) 2005-08-30 US disclosed
EP-1525513-A2 INFRARED-SENSITIVE COMPOSITION CONTAINING A METALLOCENE DERIVATIVE Kodak Polychrome Graphics (US) 2005-04-27 EP disclosed
WO-2004013699-A2 INFRARED-SENSITIVE COMPOSITION CONTAINING A METALLOCENE DERIVATIVE KODAK POLYCHROME GRAPHICS, LLC (US) 2004-02-12 WO disclosed
US-20040023136-A1 Infrared-sensitive composition containing a metallocene derivative CITICORP NORTH AMERICA, INC., AS AGENT 2004-02-05 US disclosed