SCHEMBL28633341

SCHEMBL28633341

[Ir].c1ccc2c(c1)CNC2.c1ccc2c(c1)CNC2

nearest known ligand 0.93

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.62
CD44 P16070 1/20 0.62
MAOB P27338 1/20 0.62
OXTR P30559 1/20 0.48
HTR2C P28335 1/20 0.48
RYR2 Q92736 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
PRCP P42785 1/20 0.39

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
SCHEMBL13590042 0.97 PNMT (0.65) PNMTCD44MAOBOXTRHTR2C
SCHEMBL10612 0.97
SCHEMBL29351494 0.97
Hydrochloric Acid SCHEMBL29371527 0.93 PNMT (0.62) PNMTCD44MAOBOXTRHTR2C
SCHEMBL29361921 0.93 PNMT (0.62) PNMTCD44MAOBOXTRHTR2C
Hydrochloric Acid SCHEMBL4702076 0.93 PNMT (0.62) PNMTCD44MAOBOXTRHTR2C
SCHEMBL27567500 0.93 PNMT (0.62) PNMTCD44MAOBOXTRHTR2C
Ammonia Solution, Strong SCHEMBL16296133 0.93 PNMT (0.62) PNMTCD44MAOBOXTRHTR2C
Methane SCHEMBL11147358 0.93 PNMT (0.62) PNMTCD44MAOBOXTRHTR2C
Water SCHEMBL28256098 0.93 PNMT (0.62) PNMTCD44MAOBOXTRHTR2C

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
CN-113372392-B Bis-isoindole iridium (III) complex and preparation method thereof 香港理工大学深圳研究院 2023-03-17 CN claimed
CN-113372392-A Bis-isoindole iridium (III) complex and preparation method thereof 香港理工大学深圳研究院 2021-09-10 CN claimed
CN-113372392-B Bis-isoindole iridium (III) complex and preparation method thereof 香港理工大学深圳研究院 2023-03-17 CN disclosed
CN-113372392-A Bis-isoindole iridium (III) complex and preparation method thereof 香港理工大学深圳研究院 2021-09-10 CN disclosed