SCHEMBL6556398

SCHEMBL6556398

CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].[Ir+3].c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.43
CYP2A6 P11509 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
DHODH Q02127 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KAT6A Q92794 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTSL P07711 1/20 0.40
CTSK P43235 1/20 0.40
BAZ2B Q9UIF8 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
KDM6B O15054 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
SCHEMBL18393449 1.00 P4HTM (0.43) P4HTMCYP2A6TRPV1DHODHKDM4E
SCHEMBL1964994 0.97 P4HTM (0.43) P4HTMCYP2A6TRPV1DHODHKDM4E
SCHEMBL14964711 0.97 P4HTM (0.43) P4HTMCYP2A6TRPV1DHODHKDM4E
SCHEMBL18203223 0.97 P4HTM (0.43) P4HTMCYP2A6TRPV1DHODHKDM4E
Acetoacetic Acid SCHEMBL29708917 0.90 CYP2A6 (0.44) P4HTMCYP2A6TRPV1DHODHKDM4E
Acetoacetic Acid SCHEMBL27837260 0.90 CYP2A6 (0.44) P4HTMCYP2A6TRPV1DHODHKDM4E
SCHEMBL1118469 0.88 CYP2A6 (0.45) CYP2A6TRPV1DHODHKDM4EALDH1A1
SCHEMBL28563465 0.88 CYP2A6 (0.50) P4HTMCYP2A6TRPV1DHODHKDM4E
SCHEMBL31472281 0.87 CYP2A6 (0.44) CYP2A6TRPV1DHODHKDM4EALDH1A1
SCHEMBL7094963 0.86 CYP2A6 (0.49) P4HTMCYP2A6TRPV1DHODHKDM4E

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
WO-2024130570-A1 LIGHT EMITTING DIODE AND DISPLAY APPARATUS BOE TECHNOLOGY GROUP CO., LTD. (CN) 2024-06-27 WO disclosed
EP-1394171-A1 Multinuclear metal complexes as Phosphorescence emitter in electroluminescent layered structure Bayer Aktiengesellschaft (DE) 2004-03-03 EP disclosed