SCHEMBL2887508

SCHEMBL2887508

C=Cc1ccc(-c2ccccn2)cc1.[Ir].c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
LMNA P02545 4/20 0.45
KDM4E B2RXH2 4/20 0.45
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 2/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
OPRD1 P41143 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL5572413 0.96 KDM4E (0.48) CYP2A6LMNAKDM4ECYP1A2ALDH1A1
SCHEMBL99284 0.94 KDM4E (0.50) CYP2A6LMNAKDM4ECYP1A2ALDH1A1
SCHEMBL30772294 0.94 KDM4E (0.50) CYP2A6LMNAKDM4ECYP1A2ALDH1A1
SCHEMBL550707 0.93 KDM4E (0.48) CYP2A6LMNAKDM4ECYP1A2ALDH1A1
Pyridine SCHEMBL28163770 0.91 CYP2A6 (0.49) CYP2A6LMNAKDM4ECYP1A2ALDH1A1
SCHEMBL14270342 0.85 CA12 (0.50) CYP2A6LMNAKDM4ECYP1A2POLB
SCHEMBL550080 0.85 TLR4 (0.47) CYP2A6LMNAKDM4ECYP1A2ALDH1A1
SCHEMBL17127133 0.84 KDM4E (0.43) CYP2A6LMNAKDM4ECYP1A2ALDH1A1
SCHEMBL7963566 0.83 KDM4E (0.60) LMNAKDM4ECYP1A2ALDH1A1TSHR
Butadiene SCHEMBL16585861 0.83 KDM4E (0.54) CYP2A6LMNAKDM4ECYP1A2ALDH1A1

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-20100283386-A1 DISPLAY DEVICE AND COMPOSITION FOR PRODUCING DISPLAY DEVICE, AND DISPLAY DEVICE SONY CORPORATION (JP) 2010-11-11 US disclosed