SCHEMBL30103498

SCHEMBL30103498

[Ir+3].c1ccc(-c2cc3ccccc3s2)nc1.c1ccc(-c2cc3ccccc3s2)nc1.c1ccc(-c2cc3ccccc3s2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.59
KDM4E B2RXH2 8/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MAPT P10636 2/20 0.57
GLA P06280 1/20 0.57
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM1A O60341 1/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
APP P05067 2/20 0.46
IKBKB O14920 2/20 0.45
LMNA P02545 2/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45

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
SCHEMBL29675208 1.00 CYP19A1 (0.59) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL403651 0.98 CYP19A1 (0.60) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL29415478 0.98 CYP19A1 (0.60) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL27657937 0.96 CYP19A1 (0.59) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL6230863 0.96 CYP19A1 (0.59) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL2517455 0.96 CYP19A1 (0.59) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL30109437 0.96 CYP19A1 (0.59) CYP19A1KDM4ENPC1RAB9AMAPT
Pyridine SCHEMBL29277407 0.92 CYP19A1 (0.55) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL31103353 0.92 CYP19A1 (0.55) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL13299935 0.85 KDM4E (0.61) CYP19A1KDM4ENPC1RAB9AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023063163-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT, PRODUCTION METHOD THEREFOR, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING SAID MIXED POWDER, METHOD FOR SELECTING COMPOUND IN SAID MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2023-04-20 WO disclosed
WO-2022270423-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 WO disclosed
WO-2022270428-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 WO disclosed