SCHEMBL29035751

SCHEMBL29035751

[Ir].c1ccc2c(c1)ccc1ccncc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
HTT P42858 2/20 0.55
TNF P01375 1/20 0.55
POLB P06746 1/20 0.55
RAD52 P43351 1/20 0.55
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP2A6 P11509 2/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.50
MAPK10 P53779 1/20 0.50
HPRT1 P00492 1/20 0.50
CYP3A4 P08684 2/20 0.47
HIF1A Q16665 1/20 0.46
CYP1B1 Q16678 1/20 0.46
HIPK2 Q9H2X6 1/20 0.46
ACHE P22303 1/20 0.45
CYP11B1 P15538 1/20 0.44
CLK1 P49759 1/20 0.44

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
SCHEMBL15077 0.98 ALDH1A1 (0.57) KDM4EHTTTNFPOLBRAD52
SCHEMBL3727530 0.93 HPRT1 (0.61) KDM4EHTTTNFPOLBRAD52
SCHEMBL30858829 0.93 HPRT1 (0.61) KDM4EHTTTNFPOLBRAD52
SCHEMBL17184068 0.86 CYP3A4 (0.55) KDM4EHTTTNFALDH1A1HSD17B10
SCHEMBL29569821 0.85 CLK1 (0.54) KDM4EHTTTNFPOLBRAD52
SCHEMBL672509 0.85 CLK1 (0.54) KDM4EHTTTNFPOLBRAD52
SCHEMBL14742813 0.85 KDM4E (0.50) KDM4EHTTTNFPOLBRAD52
Acetic Acid SCHEMBL11355236 0.85 KDM4E (0.51) KDM4EHTTTNFPOLBRAD52
SCHEMBL3693486 0.84 CYP3A4 (0.57) KDM4EHTTTNFALDH1A1HSD17B10
SCHEMBL29398977 0.84 CYP3A4 (0.57) KDM4EHTTTNFALDH1A1HSD17B10

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
CN-111825722-B Saturated red-light-emitting fluorenyl benzoquinoline iridium complex 北京印刷学院 2023-06-09 CN disclosed