SCHEMBL6151904

SCHEMBL6151904

[Fe]C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.38
PDE4B Q07343 1/20 0.33
KMT2A Q03164 1/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CYP3A4 P08684 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOTUM Q6P988 1/20 0.31
MMP3 P08254 1/20 0.31
BCL2L1 Q07817 1/20 0.31
P2RX7 Q99572 1/20 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
SCHEMBL7543945 0.76 ALDH1A1 (0.42) ALDH1A1LMNAPDE4BKMT2AMAPK1
SCHEMBL6569636 0.74 ALDH1A1 (0.40) ALDH1A1LMNAPDE4BKMT2AMAPK1
SCHEMBL4199696 0.74 ALDH1A1 (0.40) ALDH1A1LMNAPDE4BKMT2AMAPK1
SCHEMBL1089399 0.74 LMNA (0.43) ALDH1A1LMNAPDE4BKMT2AMAPK1
SCHEMBL146501 0.72 LMNA (0.41) ALDH1A1LMNAMAPK1CYP1A2MAPT
SCHEMBL18691989 0.72 LMNA (0.41) ALDH1A1LMNAMAPK1CYP1A2MAPT
Hydrochloric Acid SCHEMBL6817544 0.72 ALDH1A1 (0.38) ALDH1A1LMNAPDE4BKMT2AMAPK1
SCHEMBL15518760 0.70 LMNA (0.40) ALDH1A1LMNAMAPK1CYP1A2MAPT
SCHEMBL532969 0.69 ALDH1A1 (0.67) ALDH1A1LMNAPDE4BKMT2AMAPK1
SCHEMBL852224 0.69 ALDH1A1 (0.67) ALDH1A1LMNAPDE4BKMT2AMAPK1

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-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